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The following articles (labelled with PubMed ID or TBD) are for your review
PMIDArticle TitleOrganizationDepostion
17985858 Design and synthesis of novel and potent inhibitors of the type II transmembrane serine protease, matriptase, based upon the sunflower trypsin inhibitor-1. eorgetown University Medical Center 04/30/08
17973363 Discovery of a tetrazole-based growth hormone secretagogue: 4-(hydroxybutyl)carbamic acid 2-{5-[1-(2-amino-2-methylpropionylamino)-2- benzyloxyethyl]tetrazol-1-yl}ethyl ester (BMS-317180). Bristol-Myers Squibb Company 04/30/08
17614291 Hydroxyethylene isosteres of selective neuronal nitric oxide synthase inhibitors. Northwestern University 04/30/08
18173230 Inhibition of adenosine deaminase by analogues of adenosine and inosine, incorporating a common heterocyclic base, 4(7)-amino-6(5)H-imidazo[4,5-d]pyridazin-7(4)one. University of Maryland Baltimore County 04/30/08
15916444 Inhibition of herpes simplex virus thymidine kinases by 2-phenylamino-6-oxopurines and related compounds: structure-activity relationships and antiherpetic activity in vivo. GLSynthesis Inc. 04/30/08
17715908 Inhibitors of tumor progression loci-2 (Tpl2) kinase and tumor necrosis factor alpha (TNF-alpha) production: selectivity and in vivo antiinflammatory activity of novel 8-substituted-4-anilino-6-aminoquinoline-3-carbonitriles. Wyeth-Ayerst Research 04/30/08
TBD Molecular Origins of the Slow Streptavidin-Biotin Dissociation Kinetics. University of Washington at Seattle 04/30/08
17425297 Structure-based design and synthesis of N(omega)-nitro-L-arginine-containing peptidomimetics as selective inhibitors of neuronal nitric oxide synthase. Displacement of the heme structural water. Northwestern University 04/30/08
18232652 Synthesis and pharmacological evaluation of 1,2-dihydrospiro[isoquinoline-4(3H),4'-piperidin]-3-ones as nociceptin receptor agonists. Istituto Superiore di Sanita 04/30/08
17292610 Design, synthesis, and evaluation of non-steroidal farnesoid X receptor (FXR) antagonist. University of Tokyo 04/29/08
17477519 Design, synthesis, and in vitro testing of alpha-methylacyl-CoA racemase inhibitors. University of Liverpool 04/29/08
17274610 Indanylacetic acid derivatives carrying 4-thiazolyl-phenoxy tail groups, a new class of potent PPAR alpha/gamma/delta pan agonists: synthesis, structure-activity relationship, and in vivo efficacy. Bayer HealthCare Pharmaceuticals Corporation 04/29/08
17920884 New 'chemical probes' to examine the role of the hFPRL1 (or ALXR) receptor in inflammation. Amgen Inc. 04/29/08
18341273 Novel prostaglandin d synthase inhibitors generated by fragment-based drug design. AstraZeneca 04/20/08
17074800 Antibacterial activity and mechanism of action of a novel anilinouracil-fluoroquinolone hybrid compound. Microbiotix 04/19/08
18318467 Arginine binding motifs: design and synthesis of galactose-derived arginine tweezers as galectin-3 inhibitors. Lund University 04/19/08
17215127 Crystal structure of the PXR-T1317 complex provides a scaffold to examine the potential for receptor antagonism. University of North Carolina at Chapel Hill 04/19/08
18318469 Discovery of a New Class of Potent, Selective, and Orally Bioavailable CRTH2 (DP2) Receptor Antagonists for the Treatment of Allergic Inflammatory Diseases. Merck Serono 04/19/08
17685603 Nongenomic actions of bile acids. Synthesis and preliminary characterization of 23- and 6,23-alkyl-substituted bile acid derivatives as selective modulators for the G-protein coupled receptor TGR5. University di Perugia 04/19/08
12538898 Structural variation and inhibitor binding in polypeptide deformylase from four different bacterial species. GSK 04/19/08
16242339 Thioureido N-acetyllactosamine derivatives as potent galectin-7 and 9N inhibitors. Lund University 04/19/08
11906289 Toward an optimal joint recognition of the S1' subsites of endothelin converting enzyme-1 (ECE-1), angiotensin converting enzyme (ACE), and neutral endopeptidase (NEP). CNRS 04/19/08
18324760 Development of Potent and Selective Phosphinic Peptide Inhibitors of Angiotensin-Converting Enzyme 2. University of Athens 04/18/08
18314943 Optimization of a Dihydropyrrolopyrazole Series of Transforming Growth Factor-beta Type I Receptor Kinase Domain Inhibitors: Discovery of an Orally Bioavailable Transforming Growth Factor-beta Receptor Type I Inhibitor as Antitumor Agent. Lilly Research Laboratories 04/18/08
17256834 Studies leading to potent, dual inhibitors of Bcl-2 and Bcl-xL. Abbott Laboratories 04/18/08
12358520 Substrate-based design of the first class of angiotensin-converting enzyme-related carboxypeptidase (ACE2) inhibitors. Millennium Pharmaceuticals 04/18/08
18269230 Derivatives of 4-Amino-6-hydroxy-2-mercaptopyrimidine as Novel, Potent, and Selective A3 Adenosine Receptor Antagonists. Università di Napoli 04/08/08
18189347 Structure-activity relationships of C6-uridine derivatives targeting plasmodia orotidine monophosphate decarboxylase. Toronto General Research Institute 04/08/08
18307293 2-Amino-N-pyrimidin-4-ylacetamides as A2A Receptor Antagonists: 2. Reduction of hERG Activity, Observed Species Selectivity, and Structure-Activity Relationships. Neuroscience 04/07/08
18311908 Characterization of Type II Ligands in CYP2C9 and CYP3A4. AstraZeneca 04/07/08
17948978 Discovery of N1-(6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonyl)tryptamine as a potent, selective, and orally active 5-HT(6) receptor agonist. Wyeth Research 04/07/08
18311894 Indol-3-yl-tetramethylcyclopropyl Ketones: Effects of Indole Ring Substitution on CB2 Cannabinoid Receptor Activity. Abbott Laboratories 04/07/08
17649988 Structure-activity relationship study on N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4-aryl-1-piperazinehexanamides, a class of 5-HT7 receptor agents. 2. Università degli Studi di Bari 04/07/08
18293908 Synthesis, Cannabinoid Receptor Affinity, and Molecular Modeling Studies of Substituted 1-Aryl-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamides. Sapienza Università di Roma 04/07/08
18307292 2-Amino-N-pyrimidin-4-ylacetamides as A2A Receptor Antagonists: 1. Structure-Activity Relationships and Optimization of Heterocyclic Substituents. Neuroscience 04/06/08
17927164 Development of novel enkephalin analogues that have enhanced opioid activities at both mu and delta opioid receptors. University of Arizona at Tucson 04/06/08
16686530 Structure-activity relationships of bifunctional peptides based on overlapping pharmacophores at opioid and cholecystokinin receptors. University of Arizona at Tucson 04/06/08
17539621 Synthesis of Stable and Potent delta/mu Opioid Peptides: Analogues of H-Tyr-c[d-Cys-Gly-Phe-d-Cys]-OH by Ring-Closing Metathesis. Università degli Studi 04/06/08
18260617 3-Amino-benzo[d]isoxazoles as Novel Multitargeted Inhibitors of Receptor Tyrosine Kinases. Abbott Laboratories 03/29/08
18266313 A Structure-Activity Relationship Study and Combinatorial Synthetic Approach of C-Terminal Modified Bifunctional Peptides That Are delta/mu Opioid Receptor Agonists and Neurokinin 1 Receptor Antagonists. University of Arizona at Tucson 03/29/08
17516639 Design, synthesis, and biological evaluation of novel bifunctional C-terminal-modified peptides for delta/mu opioid receptor agonists and neurokinin-1 receptor antagonists. University of Arizona at Tucson 03/29/08
18269228 Synthesis and structure-activity relationships of ring-opened 17-hydroxywortmannins: potent phosphoinositide 3-kinase inhibitors with improved properties and anticancer efficacy. Wyeth Research 03/29/08
18288792 2-Aryloxy-4-alkylaminopyridines: Discovery of Novel Corticotropin-Releasing Factor 1 Antagonists. Pfizer 03/28/08
18020435 4,5-diarylisoxazole Hsp90 chaperone inhibitors: potential therapeutic agents for the treatment of cancer. Vernalis (Ramppound38amp;D) Ltd 03/28/08
17709247 Design and synthesis of quinolin-2(1H)-one derivatives as potent CDK5 inhibitors. Amgen Inc. 03/28/08
17402721 Dihydropyridopyrazinones and dihydropteridinones as corticotropin-releasing factor-1 receptor antagonists: structure-activity relationships and computational modeling. Bristol-Myers Squibb Company 03/28/08
18260618 Discovery of Dapagliflozin: A Potent, Selective Renal Sodium-Dependent Glucose Cotransporter 2 (SGLT2) Inhibitor for the Treatment of Type 2 Diabetes. Bristol-Myers Squibb Company 03/28/08
18278855 Exploring inhibitor binding at the s' subsites of cathepsin L. National Research Council Canada 03/28/08
17697781 Structure-activity relationships of 3,4-dihydro-1H-quinazolin-2-one derivatives as potential CDK5 inhibitors. Amgen Inc. 03/28/08
18260619 Synthesis and SAR of 2-Aryloxy-4-alkoxy-pyridines as Potent Orally Active Corticotropin-Releasing Factor 1 Receptor Antagonists. Pfizer 03/28/08
18072727 Design, synthesis, and biological evaluation of classical and nonclassical 2-amino-4-oxo-5-substituted-6-methylpyrrolo[3,2-d]pyrimidines as dual thymidylate synthase and dihydrofolate reductase inhibitors. Duquesne University 03/17/08
18197612 Discovery of benzisoxazoles as potent inhibitors of chaperone heat shock protein 90. Wyeth Research 03/17/08
17488003 Rationally designed high-affinity 2-amino-6-halopurine heat shock protein 90 inhibitors that exhibit potent antitumor activity. Biogen Idec 03/17/08
18215016 Design, Synthesis, Evaluation, and Crystallographic-Based Structural Studies of HIV-1 Protease Inhibitors with Reduced Response to the V82A Mutation. Universidad de Santiago de Compostela 03/16/08
18072718 Design, synthesis, and anti-inflammatory properties of orally active 4-(phenylamino)-pyrrolo[2,1-f][1,2,4]triazine p38alpha mitogen-activated protein kinase inhibitors. Novartis Pharmaceuticals 03/16/08
12825935 Estrogen receptor modulators: identification and structure-activity relationships of potent ERalpha-selective tetrahydroisoquinoline ligands. Novartis Pharmaceuticals 03/16/08
16420067 Orally active purine-based inhibitors of the heat shock protein 90. Conforma Therapeutics Corporation 03/16/08
15658851 Selective estrogen receptor modulators with conformationally restricted side chains. Synthesis and structure-activity relationship of ERalpha-selective tetrahydroisoquinoline ligands. Novartis Pharmaceuticals 03/16/08
18072721 Substituted pyrazoles as hepatoselective HMG-CoA reductase inhibitors: discovery of (3R,5R)-7-[2-(4-fluoro-phenyl)-4-isopropyl-5-(4-methyl-benzylcarbamoyl)-2H-pyrazol-3-yl]-3,5-dihydroxyheptanoic acid (PF-3052334) as a candidate for the treatment of hypercholesterolemia. Pfizer 03/16/08
11906280 Toward selective ERbeta agonists for central nervous system disorders: synthesis and characterization of aryl benzthiophenes. Novartis Pharmaceuticals 03/16/08
18183944 Validation of diacyl glycerolacyltransferase I as a novel target for the treatment of obesity and dyslipidemia using a potent and selective small molecule inhibitor. Abbott Laboratories 03/16/08
16913725 7'-substituted benzothiazolothio- and pyridinothiazolothio-purines as potent heat shock protein 90 inhibitors. Conforma Therapeutics Corporation 03/14/08
17583335 In vitro structure-activity relationship and in vivo characterization of 1-(aryl)-3-(4-(amino)benzyl)urea transient receptor potential vanilloid 1 antagonists. Abbott Laboratories 02/28/08
15689158 Novel transient receptor potential vanilloid 1 receptor antagonists for the treatment of pain: structure-activity relationships for ureas with quinoline, isoquinoline, quinazoline, phthalazine, quinoxaline, and cinnoline moieties. Abbott Laboratories 02/28/08
17585749 Novel vanilloid receptor-1 antagonists: 1. Conformationally restricted analogues of trans-cinnamides. Amgen Inc. 02/28/08
17585750 Novel vanilloid receptor-1 antagonists: 2. Structure-activity relationships of 4-oxopyrimidines leading to the selection of a clinical candidate. Amgen Inc. 02/28/08
17585751 Novel vanilloid receptor-1 antagonists: 3. The identification of a second-generation clinical candidate with improved physicochemical and pharmacokinetic properties. Amgen Inc. 02/28/08
16580202 Discovery of SB-705498: a potent, selective and orally bioavailable TRPV1 antagonist suitable for clinical development. GSK 02/24/08
15203132 Discovery of small molecule antagonists of TRPV1. GSK 02/24/08
17660385 [3H]A-778317 [1-((R)-5-tert-butyl-indan-1-yl)-3-isoquinolin-5-yl-urea]: a novel, stereoselective, high-affinity antagonist is a useful radioligand for the human transient receptor potential vanilloid-1 (TRPV1) receptor. Abbott Laboratories 02/23/08
17507218 Alpha-methylation at benzylic fragment of N-aryl-N'-benzyl ureas provides TRPV1 antagonists with better pharmacokinetic properties and higher efficacy in inflammatory pain model. Abbott Laboratories 02/22/08
16621571 Structure-activity studies of a novel series of 5,6-fused heteroaromatic ureas as TRPV1 antagonists. Abbott Laboratories 02/22/08
17629487 Alpha-substituted N-(4-tert-butylbenzyl)-N'-[4-(methylsulfonylamino)benzyl]thiourea analogues as potent and stereospecific TRPV1 antagonists. Seoul National University 02/11/08
18154266 An oxazole-based small-molecule Stat3 inhibitor modulates Stat3 stability and processing and induces antitumor cell effects. University of Central Florida College of Medicine 02/11/08
17513110 Design and synthesis of a new, conformationally constrained, macrocyclic small-molecule inhibitor of STAT3 via 'click chemistry'. University of Michigan 02/11/08
16107141 Discovery of substituted maleimides as liver X receptor agonists and determination of a ligand-bound crystal structure. GlaxoSmithKline 02/11/08
12639546 Identification of a high-affinity phosphopeptide inhibitor of Stat3. The University of Texas at Houston 02/11/08
11985463 Identification of a nonsteroidal liver X receptor agonist through parallel array synthesis of tertiary amines. GlaxoSmithKline 02/11/08
16220982 Investigation of the binding determinants of phosphopeptides targeted to the SRC homology 2 domain of the signal transducer and activator of transcription 3. Development of a high-affinity peptide inhibitor. The University of Texas at Houston 02/11/08
11300870 Pharmacophore analysis of the nuclear oxysterol receptor LXRalpha. Dartmouth College 02/11/08
17463090 Selective chemical probe inhibitor of Stat3, identified through structure-based virtual screening, induces antitumor activity. University of Central Florida College of Medicine 02/11/08
18072720 Stereospecific high-affinity TRPV1 antagonists: chiral N-(2-Benzyl-3-pivaloyloxypropyl) 2-[4-(methylsulfonylamino)phenyl]propionamide analogues. Seoul National University 02/11/08
17336521 Isoform selective inhibition of STAT1 or STAT3 homo-dimerization via peptidomimetic probes: structural recognition of STAT SH2 domains. Yale University 02/10/08
17665897 N-Acylthiadiazolines, a new class of liver X receptor agonists with selectivity for LXRbeta. GNF 01/16/08
16250633 A selective estrogen receptor modulator designed for the treatment of uterine leiomyoma with unique tissue specificity for uterus and ovaries in rats. Lilly Research Laboratories 01/15/08
17804226 Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 5: Combined A- and C-ring structure-activity relationship studies. Lilly Research Laboratories 01/15/08
17391964 Further modification on phenyl acetic acid based quinolines as liver X receptor modulators. Wyeth Research 01/15/08
16302809 Interaction of papain-like cysteine proteases with dipeptide-derived nitriles. Rheinische Friedrich-Wilhelms-Universitat Bonn 01/15/08
17408953 Beta-substituted cyclohexanecarboxamide cathepsin K inhibitors: modification of the 1,2-disubstituted aromatic core. Merck Frosst Centre for Therapeutic Research 01/07/08
12904076 A novel class of nonpeptidic biaryl inhibitors of human cathepsin K. Merck Frosst Centre for Therapeutic Research 01/06/08
17485205 Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 2: structure-activity relationship studies on the benzopyran scaffold. Lilly Research Laboratories 01/06/08
17614275 Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 3: synthesis of cyclopentanone and cyclohexanone intermediates for C-ring modification. Lilly Research Laboratories 01/06/08
17662603 Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 4: functionalization of the benzopyran A-ring. Lilly Research Laboratories 01/06/08
16480867 Dipeptide nitrile inhibitors of cathepsin K. Novartis Pharmaceuticals 01/06/08
17963370 Discovery of 5-Substituted-6-chlorouracils as Efficient Inhibitors of Human Thymidine Phosphorylase. Gilead Sciences Inc. 01/06/08
17256925 2-Cyano-pyrimidines: a new chemotype for inhibitors of the cysteine protease cathepsin K. Novartis Pharmaceuticals 01/05/08
17157021 Acyclic, orally bioavailable ketone-based cathepsin K inhibitors. GSK 01/05/08
17034120 Benzopyrans are selective estrogen receptor beta agonists with novel activity in models of benign prostatic hyperplasia. Lilly Research Laboratories 01/05/08
11262083 Cyclic ketone inhibitors of the cysteine protease cathepsin K. GSK 01/05/08
16509577 Structure activity relationships of 5-, 6-, and 7-methyl-substituted azepan-3-one cathepsin K inhibitors. GSK 01/05/08
16610787 Synthesis and characterization of 3-arylquinazolinone and 3-arylquinazolinethione derivatives as selective estrogen receptor beta modulators. Bristol-Myers Squibb Company 01/05/08
16451072 Beta-substituted cyclohexanecarboxamide: a nonpeptidic framework for the design of potent inhibitors of cathepsin K. Merck Frosst Centre for Therapeutic Research 01/04/08
16337119 Design and synthesis of novel 5,6-disubstituted uracil derivatives as potent inhibitors of thymidine phosphorylase. Academy of Sciences of the Czech Republic 01/04/08
17034119 Discovery of phenyl acetic acid substituted quinolines as novel liver X receptor agonists for the treatment of atherosclerosis. Wyeth Research 01/04/08
16302795 Lysosomotropism of basic cathepsin K inhibitors contributes to increased cellular potencies against off-target cathepsins and reduced functional selectivity. Merck Frosst Centre for Therapeutic Research 01/04/08
17649976 Biochemical and biophysical characterization of inhibitor binding to caspase-3 reveals induced asymmetry. Wyeth Research 12/19/07
15723556 Use of binding enthalpy to drive an allosteric transition. University of Maryland at College Park 12/19/07
16412634 Arylaminoethyl amides as noncovalent inhibitors of cathepsin S. Part 2: Optimization of P1 and N-aryl. GNF 12/18/07
16876407 Arylaminoethyl carbamates as a novel series of potent and selective cathepsin S inhibitors. GNF 12/18/07
17469812 Characterization and optimization of selective, nonpeptidic inhibitors of cathepsin S with an unprecedented binding mode. University of California at Berkeley 12/18/07
16183279 Design and synthesis of arylaminoethyl amides as noncovalent inhibitors of cathepsin S. Part 1. GNF 12/18/07
16413777 Identification of a potent and selective non-basic cathepsin K inhibitor. Merck Frosst Centre for Therapeutic Research 12/18/07
17034136 Identification of selective, nonpeptidic nitrile inhibitors of cathepsin s using the substrate activity screening method. University of California at Berkeley 12/18/07
16876402 Synthesis and SAR of arylaminoethyl amides as noncovalent inhibitors of cathepsin S: P3 cyclic ethers. GNF 12/18/07
17382545 Synthesis and SAR of succinamide peptidomimetic inhibitors of cathepsin S. GNF 12/18/07
16446091 Synthesis and evaluation of arylaminoethyl amides as noncovalent inhibitors of cathepsin S. Part 3: heterocyclic P3. GNF 12/18/07
17590332 The identification of potent, selective, and bioavailable cathepsin S inhibitors. Merck Frosst Centre for Therapeutic Research 12/18/07
16610800 2,4-diaminopyrimidine derivatives as potent growth hormone secretagogue receptor antagonists. Abbott Laboratories 12/10/07
17489582 Benzothiophene selective estrogen receptor modulators with modulated oxidative activity and receptor affinity. University of Illinois at Chicago 12/10/07
16854051 Discovery and pharmacological evaluation of growth hormone secretagogue receptor antagonists. Abbott Laboratories 12/10/07
17426033 Glyoxylate and pyruvate are antagonistic effectors of the Escherichia coli IclR transcriptional regulator. Banting and Best Department of Medical Research 12/10/07
17941625 Novel aminophenyl benzamide-type histone deacetylase inhibitors with enhanced potency and selectivity. MethylGene Inc 12/10/07
17887776 Structural and thermodynamic consequences of 1-(4-chlorophenyl)imidazole binding to cytochrome P450 2B4. University of Texas Medical Branch 12/10/07
17927165 Toward Potent Ghrelin Receptor Ligands Based on Trisubstituted 1,2,4-Triazole Structure. 2. Synthesis and Pharmacological in Vitro and in Vivo Evaluations. CNRS 12/10/07
17585753 Acridone-based inhibitors of inosine 5'-monophosphate dehydrogenase: discovery and SAR leading to the identification of N-(2-(6-(4-ethylpiperazin-1-yl)pyridin-3-yl)propan-2-yl)-2- fluoro-9-oxo-9,10-dihydroacridine-3-carboxamide (BMS-566419). Bristol-Myers Squibb Company 12/09/07
17765263 Nucleation of an allosteric response via ligand-induced loop folding. University of Maryland at College Park 12/09/07
17228884 Structure-guided optimization of estrogen receptor binding affinity and antagonist potency of pyrazolopyrimidines with basic side chains. University of Illinois at Urbana 12/09/07
17149865 Subtle side-chain modifications of the hop phytoestrogen 8-prenylnaringenin result in distinct agonist/antagonist activity profiles for estrogen receptors alpha and beta. Ghent University 12/09/07
17948975 Synthesis, Crystal Structure, and Activity of Pyrazole-Based Inhibitors of p38 Kinase. Pfizer 12/09/07
17958343 Probing Binding Requirements of Type I and Type II Isoforms of Inosine Monophosphate Dehydrogenase with Adenine-Modified Nicotinamide Adenine Dinucleotide Analogues. University of Minnesota at Twin Citiies 12/02/07
17941624 Discovery of Dibenzo[c,f][2,7]naphthyridines as Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 Inhibitors. Wyeth Research 11/25/07
17902635 New potent acetylcholinesterase inhibitors in the tetracyclic triterpene series. CNRS 11/25/07
17915852 Structures of Human Monoamine Oxidase B Complexes with Selective Noncovalent Inhibitors: Safinamide and Coumarin Analogs. University of Pavia 11/25/07
16078847 Antidiabetic activity of passive nonsteroidal glucocorticoid receptor modulators. Abbott Laboratories 11/24/07
16828557 Arylisothiocyanato selective androgen receptor modulators (SARMs) for prostate cancer. University of Tennessee Health Science Center 11/24/07
15115388 Novel N-arylpyrazolo[3,2-c]-based ligands for the glucocorticoid receptor: receptor binding and in vivo activity. Merck Research Laboratories 11/24/07
17467988 Novel glucocorticoids containing a 6,5-bicyclic core fused to a pyrazole ring: synthesis, in vitro profile, molecular modeling studies, and in vivo experiments. Merck Research Laboratories 11/24/07
17910428 Synthesis and monoamine oxidase inhibitory activity of new pyridazine-, pyrimidine- and 1,2,4-triazine-containing tricyclic derivatives. University of Bari 11/24/07
17929798 Design, synthesis, structure--selectivity relationship, and effect on human cancer cells of a novel series of histone deacetylase 6-selective inhibitors. Nagoya City University 11/23/07
17948981 Highly Potent, Water Soluble Benzimidazole Antagonist for Activated alpha(4)beta(1) Integrin. University of California at Davis 11/23/07
17915848 Small molecule inhibitors of integrin alpha2beta1. University of Pennsylvania 11/23/07
17958342 The First Biologically Active Synthetic Analogues of FK228, the Depsipeptide Histone Deacetylase Inhibitor. University of Southampton 11/23/07
16439135 Chlamydocin analogs bearing carbonyl group as possible ligand toward zinc atom in histone deacetylases. Kyushu Institute of Technology 11/19/07
17914785 Discovery of 1-(4-Methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro- 1H-pyrazolo[3,4-c]pyridine-3-carboxamide (Apixaban, BMS-562247), a Highly Potent, Selective, Efficacious, and Orally Bioavailable Inhibitor of Blood Coagulation Factor Xa. Bristol-Myers Squibb Company 11/11/07
15857115 Thyroid receptor ligands. 3. Design and synthesis of 3,5-dihalo-4-alkoxyphenylalkanoic acids as indirect antagonists of the thyroid hormone receptor. Karo Bio AB 11/11/07
17154490 Thyroid receptor ligands. 6. A high affinity "direct antagonist" selective for the thyroid hormone receptor. Karo Bio AB 11/11/07
15177471 Thyroid receptor ligands. Part 2: Thyromimetics with improved selectivity for the thyroid hormone receptor beta. Bristol-Myers Squibb 11/11/07
14521405 Structure-based design of novel guanidine/benzamidine mimics: potent and orally bioavailable factor Xa inhibitors as novel anticoagulants. Bristol-Myers Squibb Company 11/10/07
8770901 Structure-function relationship of the inhibition of the 3,5,3'-triiodothyronine binding to the alpha1- and beta1-thyroid hormone receptor by amiodarone analogs. University of Amsterdam 11/10/07
12699376 Thyroid receptor ligands. 1. Agonist ligands selective for the thyroid receptor beta1. Karo Bio AB 11/10/07
17254783 Thyroid receptor ligands. Part 7: Indirect antagonists of the thyroid hormone receptor with improved affinity. Karo Bio AB 11/10/07
17543524 Thyroid receptor ligands. Part 8: Thyromimetics derived from N-acylated-alpha-amino acid derivatives displaying modulated pharmacological selectivity compared with KB-141. Karo Bio AB 11/10/07
17918822 Inhibitors of the Interaction of a Thyroid Hormone Receptor and Coactivators: Preliminary Structure-Activity Relationships. St. Jude Research Hospital 11/09/07
9651155 Pharmacophores incorporating numerous excluded volumes defined by X-ray crystallographic structure in three-dimensional database searching: application to the thyroid hormone receptor. Karo Bio AB 11/08/07
17174550 Pyrazole-based factor Xa inhibitors containing N-arylpiperidinyl P4 residues. Bristol-Myers Squibb Company 11/08/07
16303304 Thyroid receptor ligands. Part 4: 4'-amido bioisosteric ligands selective for the thyroid hormone receptor beta. Karo Bio AB 11/08/07
16451071 Dual inhibitors of thymidylate synthase and dihydrofolate reductase as antitumor agents: design, synthesis, and biological evaluation of classical and nonclassical pyrrolo[2,3-d]pyrimidine antifolates(1). Duquesne University 11/05/07
16954316 Evaluation of the activities of pyrimethamine analogs against Plasmodium vivax and Plasmodium falciparum dihydrofolate reductase-thymidylate synthase using in vitro enzyme inhibition and bacterial complementation assays. National Center for Genetic Engineering and Biotechnology at Thailand 11/05/07
12704428 Insights into antifolate resistance from malarial DHFR-TS structures. Mahidol University 11/05/07
16279780 Synthesis of N-{4-[(2,4-diamino-5-methyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)thio]benzoyl}-L-glutamic acid and N-{4-[(2-amino-4-oxo-5-methyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)thio]benzoyl}-L-glutamic acid as dual inhibitors of dihydrofolate reductase and thymidylate synthase and a Duquesne University 11/05/07
17681466 Discovery and SAR study of novel dihydroquinoline-containing glucocorticoid receptor agonists. Boehringer Ingelheim Pharmaceuticals Inc. 11/04/07
17004711 Antibacterial agent discovery using thymidylate synthase biolibrary screening. UNIMORE 11/03/07
16204883 The structure of Cryptococcus neoformans thymidylate synthase suggests strategies for using target dynamics for species-specific inhibition. University of California at San Francisco 11/01/07
16420057 (+)-(2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-N-[6-(trifluoromethyl)pyridin-3- yl]piperazine-1-carboxamide (YM580) as an orally potent and peripherally selective nonsteroidal androgen receptor antagonist. Astellas Pharma Inc. 10/28/07
9514878 Discovery of nonsteroidal androgens. University of Tennessee at Memphis 10/28/07
10691684 Chiral nonsteroidal affinity ligands for the androgen receptor. 1. Bicalutamide analogues bearing electrophilic groups in the B aromatic ring. University of Tennessee at Memphis 10/26/07
14761201 Design, synthesis, and biological characterization of metabolically stable selective androgen receptor modulators. University of Tennessee at Memphis 10/26/07
16386422 Discovery and SAR study of novel dihydroquinoline containing glucocorticoid receptor ligands. Boehringer Ingelheim Pharmaceuticals Inc. 10/25/07
17269758 Highly efficient ligands for dihydrofolate reductase from Cryptosporidium hominis and Toxoplasma gondii inspired by structural analysis. Dartmouth College 10/17/07
17827006 N(4)-Phenyl modifications of N(2)-(2-hydroxyl)ethyl-6-(pyrrolidin-1-yl)-1,3,5-triazine-2,4-diamines enhance glucocerebrosidase inhibition by small molecules with potential as chemical chaperones for Gaucher disease. NIH 10/17/07
17267219 Novel selective androgen receptor modulators: SAR studies on 6-bisalkylamino-2-quinolinones. Ligand Pharmaceuticals Inc. 10/17/07
17705362 Synthesis and characterization of nonsteroidal glucocorticoid receptor modulators for multiple myeloma. Ligand Pharmaceuticals Inc. 10/17/07
17034117 Discovery of 6-N,N-bis(2,2,2-trifluoroethyl)amino- 4-trifluoromethylquinolin-2(1H)-one as a novel selective androgen receptor modulator. Ligand Pharmaceuticals Inc. 10/16/07
17257838 Discovery of an androgen receptor modulator pharmacophore based on 2-quinolinones. Ligand Pharmaceuticals Inc. 10/16/07
17764936 Pyrazole inhibitors of HMG-CoA reductase: An attempt to dramatically reduce synthetic complexity through minimal analog re-design. Pfizer 10/16/07
17005826 Structure-activity relationships of Bacillus cereus and Bacillus anthracis dihydrofolate reductase: toward the identification of new potent drug leads. University of Connecticut at Storrs 10/16/07
17887661 Substituted 6-(1-Pyrrolidine)quinolin-2(1H)-ones as Novel Selective Androgen Receptor Modulators. Ligand Pharmaceuticals Inc. 10/16/07
17670938 Three classes of glucocerebrosidase inhibitors identified by quantitative high-throughput screening are chaperone leads for Gaucher disease. NIH 10/16/07
16919960 Alpha-1-C-octyl-1-deoxynojirimycin as a pharmacological chaperone for Gaucher disease. Hokuriku University 10/08/07
17552508 Design and Synthesis of Classical and Nonclassical 6-Arylthio-2,4-diamino-5-ethylpyrrolo[2,3-d]pyrimidines as Antifolates. Duquesne University 10/08/07
17552509 Discovery of Potent and Muscle Selective Androgen Receptor Modulators through Scaffold Modifications. Bristol-Myers Squibb Pharmaceutical Research Institute 10/08/07
17560788 Discovery of pyrrole-based hepatoselective ligands as potent inhibitors of HMG-CoA reductase. Pfizer 10/08/07
17201413 Isofagomine- and 2,5-anhydro-2,5-imino-D-glucitol-based glucocerebrosidase pharmacological chaperones for Gaucher disease intervention. The Scripps Research Institute 10/08/07
17824679 Novel 2,7-Dialkyl-Substituted 5(S)-Amino-4(S)-hydroxy-8-phenyl-octanecarboxamide Transition State Peptidomimetics Are Potent and Orally Active Inhibitors of Human Renin. Novartis Pharmaceuticals 10/08/07
17824680 Structural Modification of the P2' Position of 2,7-Dialkyl-Substituted 5(S)-Amino-4(S)-hydroxy-8-phenyl-octanecarboxamides: The Discovery of Aliskiren, a Potent Nonpeptide Human Renin Inhibitor Active after Once Daily Dosing in Marmosets. Novartis Pharmaceuticals 10/08/07
15974594 Design, synthesis, and antifolate activity of new analogues of piritrexim and other diaminopyrimidine dihydrofolate reductase inhibitors with omega-carboxyalkoxy or omega-carboxy-1-alkynyl substitution in the side chain. Harvard Medical School 10/07/07
17181141 Discovery of potent, orally-active, and muscle-selective androgen receptor modulators based on an N-aryl-hydroxybicyclohydantoin scaffold. Bristol-Myers Squibb Company 10/07/07
17439112 Novel series of potent, nonsteroidal, selective androgen receptor modulators based on 7H-[1,4]oxazino[3,2-g]quinolin-7-ones. Ligand Pharmaceuticals Inc. 10/07/07
12731874 Thermodynamic characterization of the binding of nucleotides to glycyl-tRNA synthetase. Medical College of Ohio 10/01/07
17125251 A 2.13 A structure of E. coli dihydrofolate reductase bound to a novel competitive inhibitor reveals a new binding surface involving the M20 loop region. University of Prince Edward Island 09/30/07
17696333 Crystal Structure of the Anthrax Drug Target, Bacillus anthracis Dihydrofolate Reductase. University of Tennessee at Knoxville 09/30/07
15561838 Functional cloning of Bacillus anthracis dihydrofolate reductase and confirmation of natural resistance to trimethoprim. Oklahoma State University at Stillwater 09/30/07
15895686 Glutamylsulfamoyladenosine and pyroglutamylsulfamoyladenosine are competitive inhibitors of E. coli glutamyl-tRNA synthetase. CREFSIP 09/30/07
14623005 Iclaprim, a novel diaminopyrimidine with potent activity on trimethoprim sensitive and resistant bacteria. GSK 09/30/07
782880 Influence of side-chain structure of aliphatic amino acids on binding to isoleucyl-tRNA synthetase from Escherichia coli MRE 600. Gesellschaft Fur Molekularbiolische Forschung mbH 09/30/07
11520201 X-Ray crystal structures of Candida albicans dihydrofolate reductase: high resolution ternary complexes in which the dihydronicotinamide moiety of NADPH is displaced by an inhibitor. GSK 09/30/07
11567092 Crystal structure of Staphylococcus aureus tyrosyl-tRNA synthetase in complex with a class of potent and specific inhibitors. GSK 09/29/07
15837314 Discovery and optimisation of potent, selective, ethanolamine inhibitors of bacterial phenylalanyl tRNA synthetase. GSK 09/29/07
15582453 Synthesis and aminoacyl-tRNA synthetase inhibitory activity of aspartyl adenylate analogs. CREFSIP 09/29/07
17049867 Synthesis of beta-ketophosphonate analogs of glutamyl and glutaminyl adenylate, and selective inhibition of the corresponding bacterial aminoacyl-tRNA synthetases. CREFSIP 09/29/07
TBD AR-709-An Investigational diaminopyrimidine: Inhibition, Binding and Mode of Action. ARPIDA AG 09/28/07
17113558 Binding thermodynamics of substituted diaminopyrimidine renin inhibitors. Pfizer 09/19/07
17482464 Discovery of 6-ethyl-2,4-diaminopyrimidine-based small molecule renin inhibitors. Pfizer 09/19/07
15755665 Discovery of novel non-peptidic ketopiperazine-based renin inhibitors. Pfizer 09/19/07
16480874 Ketopiperazine-based renin inhibitors: optimization of the "C" ring. Pfizer 09/19/07
17574423 Rational design of 6-(2,4-diaminopyrimidinyl)-1,4-benzoxazin-3-ones as small molecule renin inhibitors. Pfizer 09/19/07
10903938 Structure-based drug design: the discovery of novel nonpeptide orally active inhibitors of human renin. Novartis Pharmaceuticals 09/19/07
15582452 The discovery and preparation of disubstituted novel amino-aryl-piperidine-based renin inhibitors. Pfizer 09/19/07
14998322 Crystal structures of Staphylococcusaureus methionine aminopeptidase complexed with keto heterocycle and aminoketone inhibitors reveal the formation of a tetrahedral intermediate. Morphochem AG 09/18/07
17444623 Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization. Schering-Plough Research Institute 09/18/07
17114291 Elucidation of the function of type 1 human methionine aminopeptidase during cell cycle progression. Johns Hopkins University 09/18/07
17120228 Serendipitous discovery of novel bacterial methionine aminopeptidase inhibitors. The Procter amppound38amp; Gamble Pharmaceuticals 09/18/07
17194595 Synthesis and biological evaluation of benzoic acid derivatives as potent, orally active VLA-4 antagonists. Daiichi Pharmaceutical 09/18/07
16377201 Synthesis, biological evaluation, and pharmacokinetic study of prolyl-1-piperazinylacetic acid and prolyl-4-piperidinylacetic acid derivatives as VLA-4 antagonists. Daiichi Pharmaceutical 09/18/07
12946343 The 1.15A crystal structure of the Staphylococcus aureus methionyl-aminopeptidase and complexes with triazole based inhibitors. Morphochem AG 09/18/07
17132624 Crystal structure of the tyrosine kinase domain of colony-stimulating factor-1 receptor (cFMS) in complex with two inhibitors. Johnson amppound38amp; Johnson Pharmaceutical 09/11/07
17696416 Design, Synthesis, and Evaluation of Orally Active Benzimidazoles and Benzoxazoles as Vascular Endothelial Growth Factor-2 Receptor Tyrosine Kinase Inhibitors. Amgen 09/11/07
17676829 Discovery of Novel Benzimidazoles as Potent Inhibitors of TIE-2 and VEGFR-2 Tyrosine Kinase Receptors. GSK 09/11/07
15801825 Enantiospecificity of glutamate carboxypeptidase II inhibition. Guilford 09/11/07
17132625 Protein engineering of the colony-stimulating factor-1 receptor kinase domain for structural studies. Johnson amppound38amp; Johnson Pharmaceutical 09/11/07
16686531 Structural optimization of thiol-based inhibitors of glutamate carboxypeptidase II by modification of the P1' side chain. MGI Pharma 09/11/07
TBD Synthesis and biological evaluation of (R)- and (S)-2-(phosphonomethyl)pentanedioic acids as inhibitors of glutamate carboxypeptidase II Guilford 09/11/07
17685503 2-Amino-3,4-dihydroquinazolines as Inhibitors of BACE-1 (beta-Site APP Cleaving Enzyme): Use of Structure Based Design to Convert a Micromolar Hit into a Nanomolar Lead. Johnson amppound38amp; Johnson Pharmaceutical 09/10/07
17696512 Design and Synthesis of HIV-1 Protease Inhibitors Incorporating Oxazolidinones as P2/P2' Ligands in Pseudosymmetric Dipeptide Isosteres. University of Massachusetts Medical School 09/10/07
16884310 Novel 2-aminopyrimidine carbamates as potent and orally active inhibitors of Lck: synthesis, SAR, and in vivo antiinflammatory activity. Amgen 09/10/07
17276681 Discovery of novel 2,3-diarylfuro[2,3-b]pyridin-4-amines as potent and selective inhibitors of Lck: synthesis, SAR, and pharmacokinetic properties. Amgen 09/09/07
17636946 Highly potent inhibitors of methionine aminopeptidase-2 based on a 1,2,4-triazole pharmacophore. GSK 09/01/07
17338508 Factor Xa inhibitors: S1 binding interactions of a series of N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}sulfonamides. GSK 08/31/07
17567119 Structural insight into the pharmacophore pocket of human glutamate carboxypeptidase II. NCI-FCRDC 08/31/07
17663538 Synthesis, Biological Activity, and Crystal Structure of Potent Nonnucleoside Inhibitors of HIV-1 Reverse Transcriptase That Retain Activity against Mutant Forms of the Enzyme. NCI-FCRDC 08/31/07
16134930 4-Aryl-1,2,3-triazole: a novel template for a reversible methionine aminopeptidase 2 inhibitor, optimized to inhibit angiogenesis in vivo. GSK 08/30/07
14996743 Crystal structures of prostaglandin D(2) 11-ketoreductase (AKR1C3) in complex with the nonsteroidal anti-inflammatory drugs flufenamic acid and indomethacin. The University of Birmingham 08/30/07
16632353 Development of sulfonamide compounds as potent methionine aminopeptidase type II inhibitors with antiproliferative properties. Abbott Laboratories 08/30/07
16789740 Discovery and optimization of anthranilic acid sulfonamides as inhibitors of methionine aminopeptidase-2: a structural basis for the reduction of albumin binding. Abbott Laboratories 08/30/07
14633714 Tumor suppression by a rationally designed reversible inhibitor of methionine aminopeptidase-2. Abbott Laboratories 08/30/07
17350258 Lead optimization of methionine aminopeptidase-2 (MetAP2) inhibitors containing sulfonamides of 5,6-disubstituted anthranilic acids. Abbott Laboratories 08/29/07
12223444 A concerted, rational design of type 1 17beta-hydroxysteroid dehydrogenase inhibitors: estradiol-adenosine hybrids with high affinity. CHUL 08/18/07
11027132 Preparation, characterization, and the crystal structure of the inhibitor ZK-807834 (CI-1031) complexed with factor Xa. Berlex 08/18/07
11342132 Structural basis for inhibition promiscuity of dual specific thrombin and factor Xa blood coagulation inhibitors. Boehringer Ingelheim Pharma KG 08/18/07
17166832 Structure-based inhibitor design for an enzyme that binds different steroids: a potent inhibitor for human type 5 17beta-hydroxysteroid dehydrogenase. CHUL 08/18/07
17227710 Substituted thiophene-anthranilamides as potent inhibitors of human factor Xa. Berlex 08/18/07
17350841 4-aminophenylalanine and 4-aminocyclohexylalanine derivatives as potent, selective, and orally bioavailable inhibitors of dipeptidyl peptidase IV. Merck Research Laboratories 08/17/07
12657282 Aryl tetrahydropyridine inhibitors of farnesyltransferase: glycine, phenylalanine and histidine derivatives. Abbott Laboratories 08/17/07
17168540 Design, synthesis, and biological activity of a potent Smac mimetic that sensitizes cancer cells to apoptosis by antagonizing IAPs. Genentech 08/17/07
17336535 Structure-activity based study of the Smac-binding pocket within the BIR3 domain of XIAP. Princeton University 08/17/07
10417407 Crystallographic analysis of potent and selective factor Xa inhibitors complexed to bovine trypsin. Berlex 08/16/07
17035017 2,6-Quinolinyl derivatives as potent VLA-4 antagonists. UCB 08/09/07
16455247 Pyridone derivatives as potent and selective VLA-4 integrin antagonists. GlaxoSmithKline 08/09/07
17570665 Discovery of a potent CDK2 inhibitor with a novel binding mode, using virtual screening and initial, structure-guided lead scoping. Vernalis (Ramppound38amp;D) Ltd 08/08/07
16931004 Pyridone derivatives as potent, orally bioavailable VLA-4 integrin antagonists. GlaxoSmithKline 08/08/07
16495061 Selection of a 2-azabicyclo[2.2.2]octane-based alpha4beta1 integrin antagonist as an inhaled anti-asthmatic agent. Johnson amppound38amp; Johnson Pharmaceutical 08/08/07
12244092 Structural basis for Chk1 inhibition by UCN-01. GlaxoSmithKline 08/08/07
17536795 Thiophene-anthranilamides as highly potent and orally available factor xa inhibitors(1). Berlex Biosciences 08/08/07
16750629 p38 MAP kinase inhibitors. Part 3: SAR on 3,4-dihydropyrimido[4,5-d]pyrimidin-2-ones and 3,4-dihydropyrido[4,3-d]pyrimidin-2-ones. Merck Research Laboratories 08/08/07
17531483 Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 1: design, synthesis and biological activity. Berlex Biosciences 08/02/07
17544272 Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 2: optimization of BX-517. Berlex Biosciences 08/02/07
14962382 Interactions of LY333531 and other bisindolyl maleimide inhibitors with PDK1. University of Dundee 08/02/07
15772071 Novel small molecule inhibitors of 3-phosphoinositide-dependent kinase-1. Berlex Biosciences 08/02/07
12892559 Structural basis for UCN-01 (7-hydroxystaurosporine) specificity and PDK1 (3-phosphoinositide-dependent protein kinase-1) inhibition. University of Dundee 08/02/07
16112583 Aza-bicyclic amino acid carboxamides as alpha4beta1/alpha4beta7 integrin receptor antagonists. Johnson amppound38amp; Johnson Pharmaceutical 08/01/07
16644221 Discovery and SAR of oxindole-pyridine-based protein kinase B/Akt inhibitors for treating cancers. Abbott Laboratories 08/01/07
16603355 Isoquinoline-pyridine-based protein kinase B/Akt antagonists: SAR and in vivo antitumor activity. Abbott Laboratories 08/01/07
17041919 Structure-activity relationship studies of a series of peptidomimetic ligands for alpha(4) beta(1) integrin on Jurkat T-leukemia cells. University of California Davis 08/01/07
16722660 Synthesis and biological evaluation of novel pyridazinone-based alpha4 integrin receptor antagonists. Johnson amppound38amp; Johnson Pharmaceutical 08/01/07
17034121 Acylguanidines as small-molecule beta-secretase inhibitors. Wyeth Research 07/25/07
16690314 BACE-1 inhibition by a series of psi[CH2NH] reduced amide isosteres. Merck Research Laboratories 07/25/07
17112725 Beta-secretase (BACE-1) inhibitors: accounting for 10s loop flexibility using rigid active sites. Merck Research Laboratories 07/25/07
14695829 Design and synthesis of hydroxyethylene-based peptidomimetic inhibitors of human beta-secretase. Elan Pharmaceuticals 07/25/07
17258463 Design and synthesis of pyridine-pyrazolopyridine-based inhibitors of protein kinase B/Akt. Abbott Laboratories 07/25/07
17257835 Discovery and SAR of isonicotinamide BACE-1 inhibitors that bind beta-secretase in a N-terminal 10s-loop down conformation. Merck Research Laboratories 07/25/07
17034118 Macrocyclic inhibitors of beta-secretase: functional activity in an animal model. Merck Research Laboratories 07/25/07
16821787 Naphthyl and coumarinyl biarylpiperazine derivatives as highly potent human beta-secretase inhibitors. Design, synthesis, and enzymatic BACE-1 and cell assays. Université de la Méditerranée 07/25/07
11520194 Structure-based design: potent inhibitors of human brain memapsin 2 (beta-secretase). University of Illinois at Chicago 07/25/07
15466206 BAY 43-9006 exhibits broad spectrum oral antitumor activity and targets the RAF/MEK/ERK pathway and receptor tyrosine kinases involved in tumor progression and angiogenesis. Bayer Pharmaceuticals Corporation 07/18/07
14971907 Carbonic anhydrase inhibitors. Inhibition of mitochondrial isozyme V with aromatic and heterocyclic sulfonamides. Università degli Studi di Firenze 07/18/07
16134934 Factorizing selectivity determinants of inhibitor binding toward aldose and aldehyde reductases: structural and thermodynamic properties of the aldose reductase mutant Leu300Pro-fidarestat complex. IGBMC 07/18/07
16190759 A novel series of non-carboxylic acid, non-hydantoin inhibitors of aldose reductase with potent oral activity in diabetic rat models: 6-(5-chloro-3-methylbenzofuran-2-sulfonyl)-2H-pyridazin-3-one and congeners. Pfizer 07/17/07
16289938 Identification of a buried pocket for potent and selective inhibition of Chk1: prediction and verification. Vernalis (Ramppound38amp;D) Ltd 07/17/07
15734645 Structural basis for the highly selective inhibition of MMP-13. Aventis Pharma Deutschland GmbH 07/17/07
17523610 Syntheses of potent, selective, and orally bioavailable indazole-pyridine series of protein kinase b/akt inhibitors with reduced hypotension. Abbott Laboratories 07/17/07
16945533 p38 MAP kinase inhibitors. Part 6: 2-arylpyridazin-3-ones as templates for inhibitor design. Merck Research Laboratories 07/17/07
17107793 Evaluating scoring functions for docking and designing beta-secretase inhibitors. Merck Research Laboratories 07/10/07
16950396 Quantitative evaluation of each catalytic subsite of cathepsin B for inhibitory activity based on inhibitory activity-binding mode relationship of epoxysuccinyl inhibitors by X-ray crystal structure analyses of complexes. Osaka University of Pharmaceutical Sciences 07/03/07
16190753 5-Cyanopyrimidine derivatives as a novel class of potent, selective, and orally active inhibitors of p38alpha MAP kinase. Bristol-Myers Squibb Company 07/02/07
12773033 A highly selective, non-hydantoin, non-carboxylic acid inhibitor of aldose reductase with potent oral activity in diabetic rat models: 6-(5-chloro-3-methylbenzofuran- 2-sulfonyl)-2-H-pyridazin-3-one. Pfizer 07/02/07
15857120 Discovery of 3-[(4,5,7-trifluorobenzothiazol-2-yl)methyl]indole-N-acetic acid (lidorestat) and congeners as highly potent and selective inhibitors of aldose reductase for treatment of chronic diabetic complications. The Institute for Diabetes Discovery 07/02/07
16337231 High-resolution crystal structure of aldose reductase complexed with the novel sulfonyl-pyridazinone inhibitor exhibiting an alternative active site anchoring group. University of Marburg 07/02/07
17083960 Structural and thermodynamic studies of simple aldose reductase-inhibitor complexes. Medical College of Wiscosin 07/02/07
16759861 Structure-activity relationships of triazolopyridine oxazole p38 inhibitors: identification of candidates for clinical development. Pfizer 07/02/07
15588077 Structure-based design of potent and selective cell-permeable inhibitors of human beta-secretase (BACE-1). Merck Research Laboratories 07/02/07
17451234 Identification of Inhibitors of Protein Kinase B Using Fragment-Based Lead Discovery. Astex 06/17/07
16620080 Design, synthesis and X-ray structure of protein-ligand complexes: important insight into selectivity of memapsin 2 (beta-secretase) inhibitors. Purdue University 06/10/07
17432843 Design, synthesis, and X-ray structure of potent memapsin 2 (beta-secretase) inhibitors with isophthalamide derivatives as the P2-P3-ligands. Purdue University 06/10/07
17163639 High affinity InhA inhibitors with activity against drug-resistant strains of Mycobacterium tuberculosis. SUNY Stony Brook 06/10/07
16451048 Aminoethylenes: a tetrahedral intermediate isostere yielding potent inhibitors of the aspartyl protease BACE-1. Sunesis 06/09/07
9468142 Design of potent selective zinc-mediated serine protease inhibitors. Arris 06/09/07
17441705 Discovery of alogliptin: a potent, selective, bioavailable, and efficacious inhibitor of dipeptidyl peptidase IV. Takeda 06/09/07
17418233 Evidence for a novel binding site conformer of aldose reductase in ligand-bound state. University of Marburg 06/09/07
15044733 Inhibitor binding in a class 2 dihydroorotate dehydrogenase causes variations in the membrane-associated N-terminal domain. University of Copenhagen 06/09/07
17368668 Structural and thermodynamic study on aldose reductase: nitro-substituted inhibitors with strong enthalpic binding contribution. University of Marburg 06/09/07
15582402 Structure-based design of cycloamide-urethane-derived novel inhibitors of human brain memapsin 2 (beta-secretase). University of Illinois at Chicago 06/08/07
11196150 Characterization of the antitumor effects of the selective farnesyl protein transferase inhibitor R115777 in vivo and in vitro. Janssen Research Foundation 06/04/07
10926521 Crystals of the urokinase type plasminogen activator variant beta(c)-uPAin complex with small molecule inhibitors open the way towards structure-based drug design. Max-Planck-Institut fuer Biochemie 06/04/07
17458947 De Novo Parallel Design, Synthesis and Evaluation of Inhibitors against the Reverse Transcriptase of Human Immunodeficiency Virus Type-1 and Drug-Resi Bar Ilan University 06/04/07
15916422 Protein farnesyltransferase inhibitors exhibit potent antimalarial activity. University of Washington at Seattle 06/04/07
16406782 Brequinar derivatives and species-specific drug design for dihydroorotate dehydrogenase. Cornell University 06/03/07
17447747 Selective Urokinase-Type Plasminogen Activator Inhibitors. 4. 1-(7-Sulfonamidoisoquinolinyl)guanidines. Pfizer 06/03/07
16236496 The first de novo designed inhibitors of Plasmodium falciparum dihydroorotate dehydrogenase. University of Leeds 06/03/07
17451235 Rapid Evolution of 6-Phenylpurine Inhibitors of Protein Kinase B through Structure-Based Design. Astex 06/01/07
16246558 Biphenyl-4-ylcarbamoyl thiophene carboxylic acids as potent DHODH inhibitors. 4SC AG 05/31/07
16759099 Aminopyridine-based c-Jun N-terminal kinase inhibitors with cellular activity and minimal cross-kinase activity. Abbott Laboratories 05/28/07
16263281 Conformationally biased P3 amide replacements of beta-secretase inhibitors. Merck Research Laboratories 05/28/07
17107797 Discovery of a new class of 4-anilinopyrimidines as potent c-Jun N-terminal kinase inhibitors: Synthesis and SAR studies. Abbott Laboratories 05/28/07
17149856 Discovery of oxadiazoyl tertiary carbinamine inhibitors of beta-secretase (BACE-1). Merck Research Laboratories 05/28/07
15566281 Identification of a small molecule nonpeptide active site beta-secretase inhibitor that displays a nontraditional binding mode for aspartyl proteases. Merck Research Laboratories 05/28/07
16854060 Structure-based design and synthesis of macroheterocyclic peptidomimetic inhibitors of the aspartic protease beta-site amyloid precursor protein cleaving enzyme (BACE). Universite de Montreal at Succursale Centre-Ville 05/28/07
16078837 Structure-based design, synthesis, and memapsin 2 (BACE) inhibitory activity of carbocyclic and heterocyclic peptidomimetics. Universite de Montreal at Succursale Centre-Ville 05/28/07
12954329 The structure of JNK3 in complex with small molecule inhibitors: structural basis for potency and selectivity. Merck Research Laboratories 05/28/07
15261268 Factor Xa inhibitors based on a 2-carboxyindole scaffold: SAR of neutral P1 substituents. Aventis Pharma Deutschland GmbH 05/27/07
15261269 Novel factor Xa inhibitors based on a 2-carboxyindole scaffold: SAR of P4 substituents in combination with a neutral P1 ligand. Aventis Pharma Deutschland GmbH 05/27/07
16527482 Synthesis and SAR of 1,9-dihydro-9-hydroxypyrazolo[3,4-b]quinolin-4-ones as novel, selective c-Jun N-terminal kinase inhibitors. Abbott Laboratories 05/27/07
16854050 Discovery of potent, highly selective, and orally bioavailable pyridine carboxamide c-Jun NH2-terminal kinase inhibitors. Abbott Laboratories 05/24/07
17315856 Application of fragment screening by X-ray crystallography to beta-secretase. Astex 05/15/07
17337342 Affinity-based ranking of ligands for DPP-4 from mixtures. Merck Research Laboratories 05/14/07
17315857 Application of fragment screening by X-ray crystallography to the discovery of aminopyridines as inhibitors of beta-secretase. Astex 05/14/07
17300163 Design, synthesis, and crystal structure of hydroxyethyl secondary amine-based peptidomimetic inhibitors of human beta-secretase. Elan Pharmaceuticals 05/14/07
16509574 Discovery of S-[5-amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(2,3-dihydroxypropoxy)phenyl]methanone (RO3201195), an orally bioavailable and highly selective inhibitor of p38 MAP kinase. Roche Palo Alto LLC 05/14/07
17300186 Flipped out: structure-guided design of selective pyrazolylpyrrole ERK inhibitors. Vertex 05/14/07
16249081 Macrocyclic peptidomimetic inhibitors of beta-secretase (BACE): first X-ray structure of a macrocyclic peptidomimetic-BACE complex. Lilly S.A. 05/14/07
17256833 New pyrrole inhibitors of monoamine oxidase: synthesis, biological evaluation, and structural determinants of MAO-A and MAO-B selectivity. Universita di Roma La Sapienza 05/14/07
17291750 Optimization of 1,4-diazepan-2-one containing dipeptidyl peptidase IV inhibitors for the treatment of type 2 diabetes. Merck Research Laboratories 05/14/07
12749891 Potent, selective inhibitors of protein tyrosine phosphatase 1B. Abbott Laboratories 05/14/07
17034137 Pyrrolidine carboxamides as a novel class of inhibitors of enoyl acyl carrier protein reductase from Mycobacterium tuberculosis. University of California at San Francisco 05/14/07
14561090 Design and synthesis of 4-azaindoles as inhibitors of p38 MAP kinase. Roche Palo Alto LLC 05/11/07
17276063 Pyrrolidine-constrained phenethylamines: The design of potent, selective, and pharmacologically efficacious dipeptidyl peptidase IV (DPP4) inhibitors from a lead-like screening hit. Abbott Laboratories 05/08/07
16213716 3-(5-Chloro-2,4-dihydroxyphenyl)-pyrazole-4-carboxamides as inhibitors of the Hsp90 molecular chaperone. Vernalis (Ramppound38amp;D) Ltd 05/07/07
15012994 Benzimidazolone p38 inhibitors. Pfizer 05/07/07
14592490 Benzyl vinylogous amide substituted aryldihydropyridazinones and aryldimethylpyrazolones as potent and selective PDE3B inhibitors. Merck Research Laboratories 05/07/07
15147193 Crystal structure of human phosphodiesterase 3B: atomic basis for substrate and inhibitor specificity. Merck Research Laboratories 05/07/07
17239592 Discovery of non-covalent dipeptidyl peptidase IV inhibitors which induce a conformational change in the active site. Lilly Research Laboratories 05/07/07
16480261 Dual binding mode of a novel series of DHODH inhibitors. 4SC AG 05/07/07
15795226 High-throughput screening for potent and selective inhibitors of Plasmodium falciparum dihydroorotate dehydrogenase. University of Texas Southwestern Medical Center 05/07/07
16735511 Multiple conformations of phosphodiesterase-5: implications for enzyme function and drug development. University of North Carolina at Chapel Hill 05/07/07
15974572 Novel, potent small-molecule inhibitors of the molecular chaperone Hsp90 discovered through structure-based design. Vernalis (Ramppound38amp;D) Ltd 05/07/07
17352464 Structure-based design, synthesis, and biological evaluation of potent and selective macrocyclic checkpoint kinase 1 inhibitors. Abbott Laboratories 05/07/07
16134941 Theoretical and experimental design of atypical kinase inhibitors: application to p38 MAP kinase. Pfizer 05/07/07
17367123 Discovery and structure-activity relationships of piperidinone- and piperidine-constrained phenethylamines as novel, potent, and selective dipeptidyl peptidase IV inhibitors. Abbott Laboratories 05/04/07
15217611 Structure-activity relationships in purine-based inhibitor binding to HSP90 isoforms. Vernalis (Ramppound38amp;D) Ltd 05/04/07
16202589 Structure-based discovery of a new class of Hsp90 inhibitors. Vernalis (Ramppound38amp;D) Ltd 05/04/07
12897767 Structural basis for p38alpha MAP kinase quinazolinone and pyridol-pyrimidine inhibitor specificity. Merck Research Laboratories 05/01/07
9753691 Structural basis of inhibitor selectivity in MAP kinases. University of Texas Southwestern Medical Center at Dallas 05/01/07
11090628 Structural determinants of phosphoinositide 3-kinase inhibition by wortmannin, LY294002, quercetin, myricetin, and staurosporine. MRC 05/01/07
17275837 A structural comparison of inhibitor binding to PKB, PKA and PKA-PKB chimera. Astex 04/30/07
15664853 Allosteric Akt (PKB) inhibitors: discovery and SAR of isozyme selective inhibitors. Merck Research Laboratories 04/30/07
17343373 Carbonic anhydrase inhibitors: inhibition of isozymes I, II, and IX with triazole-linked O-glycosides of benzene sulfonamides. Griffith University 04/30/07
15686884 Discovery of 2,3,5-trisubstituted pyridine derivatives as potent Akt1 and Akt2 dual inhibitors. Merck Research Laboratories 04/30/07
16678413 Identification of a novel 3,5-disubstituted pyridine as a potent, selective, and orally active inhibitor of Akt1 kinase. Abbott Laboratories 04/30/07
16249095 Structure-based design of isoquinoline-5-sulfonamide inhibitors of protein kinase B. UK Centre for Cancer Therapeutics 04/30/07
16413780 Synthesis and structure-activity relationship of 3,4'-bispyridinylethylenes: discovery of a potent 3-isoquinolinylpyridine inhibitor of protein kinase B (PKB/Akt) for the treatment of cancer. Abbott Laboratories 04/30/07
15801821 Virtual docking approaches to protein kinase B inhibition. The Burnham Institute 04/30/07
16403626 Discovery of trans-3,4'-bispyridinylethylenes as potent and novel inhibitors of protein kinase B (PKB/Akt) for the treatment of cancer: Synthesis and biological evaluation. Abbott Laboratories 04/26/07
17253679 Alkynylpyrimidine amide derivatives as potent, selective, and orally active inhibitors of Tie-2 kinase. Amgen Inc. 04/17/07
15996097 Biochemical and structural characterization of a novel class of inhibitors of the type 1 insulin-like growth factor and insulin receptor kinases. Merck Research Laboratories 04/17/07
17253678 Evolution of a highly selective and potent 2-(pyridin-2-yl)-1,3,5-triazine Tie-2 kinase inhibitor. Amgen Inc. 04/17/07
16413783 Factor VIIa inhibitors: gaining selectivity within the trypsin family. Celera 04/17/07
11896401 Inhibition of p38 MAP kinase by utilizing a novel allosteric binding site. Boehringer Ingelheim Pharmaceuticals Inc. 04/17/07
16621549 Novel 5-azaindole factor VIIa inhibitors. Celera 04/17/07
17276055 Orally active 4-amino-5-diarylurea-furo[2,3-d]pyrimidine derivatives as anti-angiogenic agent inhibiting VEGFR2 and Tie-2. GlaxoSmithKline 04/17/07
14561087 Structure-activity relationships of the p38alpha MAP kinase inhibitor 1-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-[4-(2-morpholin-4-yl-ethoxy)naph- thalen-1-yl]urea (BIRB 796). Boehringer Ingelheim Pharmaceuticals Inc. 04/17/07
14561086 Thermal denaturation: a method to rank slow binding, high-affinity P38alpha MAP kinase inhibitors. Boehringer Ingelheim Pharmaceuticals Inc. 04/17/07
15857116 1-(5-Chloro-2-alkoxyphenyl)-3-(5-cyanopyrazin-2-yl)ureas [correction of cyanopyrazi] as potent and selective inhibitors of Chk1 kinase: synthesis, preliminary SAR, and biological activities. Abbott Laboratories 04/10/07
15055996 Identification of compounds with nanomolar binding affinity for checkpoint kinase-1 using knowledge-based virtual screening. AstraZeneca 04/10/07
15084132 Carbonic anhydrase inhibitors. Design of selective, membrane-impermeant inhibitors targeting the human tumor-associated isozyme IX. Canadian Institutes of Health Research 04/09/07
17228859 Discovery of a series of 6,7-dimethoxy-4-pyrrolidylquinazoline PDE10A inhibitors. Pfizer 04/09/07
16574416 Identification of chemically diverse Chk1 inhibitors by receptor-based virtual screening. Vernalis (Ramppound38amp;D) Ltd 04/09/07
15576036 Structural basis for the activity of drugs that inhibit phosphodiesterases. Plexxikon 04/09/07
15974586 Structure-based design of novel Chk1 inhibitors: insights into hydrogen bonding and protein-ligand affinity. Vernalis (Ramppound38amp;D) Ltd 04/09/07
15685167 A family of phosphodiesterase inhibitors discovered by cocrystallography and scaffold-based drug design. Plexxikon 04/08/07
16517596 A novel protein geranylgeranyltransferase-I inhibitor with high potency, selectivity, and cellular activity. Duke University Medical Center 04/03/07
15632123 A selective, slow binding inhibitor of factor VIIa binds to a nonstandard active site conformation and attenuates thrombus formation in vivo. Genentech 04/03/07
16446090 Synthesis and biological evaluation of 1-(2,4,5-trisubstituted phenyl)-3-(5-cyanopyrazin-2-yl)ureas as potent Chk1 kinase inhibitors. Abbott Laboratories 04/03/07
17228860 Design and synthesis of potent inhibitors of the malaria parasite dihydroorotate dehydrogenase. University of Leeds 04/02/07
12954058 Design, parallel synthesis, and crystal structures of pyrazinone antithrombotics as selective inhibitors of the tissue factor VIIa complex. Pharmacia Corporation 04/02/07
14561089 Design, synthesis, and crystal structure of selective 2-pyridone tissue factor VIIa inhibitors. Pharmacia Corporation 04/02/07
14613321 Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors. Aventis Pharma 04/02/07
16242328 Synthesis and biological evaluation of 3-ethylidene-1,3-dihydro-indol-2-ones as novel checkpoint 1 inhibitors. Abbott Laboratories 04/02/07
13678408 Synthesis and crystal structures of substituted benzenes and benzoquinones as tissue factor VIIa inhibitors. Pharmacia Corporation 04/02/07
17154503 Crystal structures of human adenosine kinase inhibitor complexes reveal two distinct binding modes. Abbott Laboratories 03/27/07
9822558 (+)-4-[2-[4-(8-Chloro-3,10-dibromo-6,11-dihydro-5H-benzo[5, 6]cyclohepta[1,2-b]- pyridin-11(R)-yl)-1-piperidinyl]-2-oxo-ethyl]-1-piperidinecarboxamid e (SCH-66336): a very potent farnesyl protein transferase inhibitor as a novel antitumor agent. Schering-Plough Research Institute 03/26/07
15715490 8-Substituted analogues of 3-(3-cyclopentyloxy-4-methoxy-benzyl)-8-isopropyl-adenine: highly potent and selective PDE4 inhibitors. Purdue Pharma LP 03/26/07
16759100 A novel series of potent and selective PDE5 inhibitors with potential for high and dose-independent oral bioavailability. Pfizer 03/26/07
15911281 Benzimidazolones and indoles as non-thiol farnesyltransferase inhibitors based on tipifarnib scaffold: synthesis and activity. Abbott Laboratories 03/26/07
15808463 Design, synthesis, and activity of achiral analogs of 2-quinolones and indoles as non-thiol farnesyltransferase inhibitors. Abbott Laboratories 03/26/07
15522303 Dissecting and designing inhibitor selectivity determinants at the S1 site using an artificial Ala190 protease (Ala190 uPA). Celera 03/26/07
16539372 Enantiomer discrimination illustrated by the high resolution crystal structures of type 4 phosphodiesterase. University of North Carolina at Chapel Hill 03/26/07
17266195 Synthesis and mixed lineage kinase activity of pyrrolocarbazole and isoindolone analogs of (+)K-252a. Cephalon 03/13/07
16949284 The synthesis and SAR of 2-amino-pyrrolo[2,3-d]pyrimidines: a new class of Aurora-A kinase inhibitors. Johnson amppound38amp; Johnson Pharmaceutical 03/13/07
12742021 Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease inhibitors. Celera 03/12/07
16806920 Monocyclic thiophenes as protein tyrosine phosphatase 1B inhibitors: capturing interactions with Asp48. Wyeth Research 03/12/07
16681368 Structure-guided design of peptide-based tryptase inhibitors. Celera 03/12/07
17097290 Benzothiazole benzimidazole (S)-isothiazolidinone derivatives as protein tyrosine phosphatase-1B inhibitors. Incyte Corporation 03/11/07
16303309 Bicyclic and tricyclic thiophenes as protein tyrosine phosphatase 1B inhibitors. Wyeth Research 03/11/07
10966741 Crystal structures of human factor Xa complexed with potent inhibitors. Aventis Pharma 03/06/07
17201404 Discovery of aminofurazan-azabenzimidazoles as inhibitors of Rho-kinase with high kinase selectivity and antihypertensive activity. GlaxoSmithKline 03/06/07
11731301 Engineering inhibitors highly selective for the S1 sites of Ser190 trypsin-like serine protease drug targets. Axys Pharmaceutical 03/06/07