PMID
Data
Article Title
Organization
Discovery and Pre-Clinical Characterization of Third-Generation 4-H Heteroaryldihydropyrimidine (HAP) Analogues as Hepatitis B Virus (HBV) Capsid Inhibitors.

Roche Innovation Center Shanghai
INCB24360 (Epacadostat), a Highly Potent and Selective Indoleamine-2,3-dioxygenase 1 (IDO1) Inhibitor for Immuno-oncology.

Incyte
Synthesis, activity and docking studies of phenylpyrimidine-carboxamide Sorafenib derivatives.

Jiangxi Science & Technology Normal University
Design, synthesis and activity of novel sorafenib analogues bearing chalcone unit.

Jiangxi Science & Technology Normal University
Synthesis and anticancer activity of novel 4-morpholino-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine derivatives bearing chromone moiety.

Jiangxi Science & Technology Normal University
Synthesis and evaluation of novel angiotensin II receptor 1 antagonists as anti-hypertension drugs.

Donghua University
Design, synthesis, biological evaluation and docking studies of novel 2-substituted-4-morpholino-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine derivatives as dual PI3Ka/mTOR inhibitors.

Jiangxi Science & Technology Normal University
Synthesis, and docking studies of phenylpyrimidine-carboxamide derivatives bearing 1H-pyrrolo[2,3-b]pyridine moiety as c-Met inhibitors.

Jiangxi Science & Technology Normal University
Discovery of novel pyrrolo[2,3-b]pyridine derivatives bearing 1,2,3-triazole moiety as c-Met kinase inhibitors.

Jiangxi Science and Technology Normal University
Design, synthesis, and docking studies of afatinib analogs bearing cinnamamide moiety as potent EGFR inhibitors.

Jiangxi Science & Technology Normal University
Design, Synthesis, and Pharmacological Evaluation of Fusedß-Homophenylalanine Derivatives as Potent DPP-4 Inhibitors.

Chinese Academy of Sciences
Design, Synthesis, and Biological Evaluation of Novel Imidazo[1,2-a]pyridine Derivatives as Potent c-Met Inhibitors.

Shanghai Institute of Materia Medica
Separation and peroxisome proliferator-activated receptor-¿ agonist activity evaluation of synthetic racemic bavachinin enantiomers.

Shanghai University of Traditional Chinese Medicine
Design and synthesis of orally bioavailable aminopyrrolidinone histone deacetylase 6 inhibitors.

Roche Innovation Center Shanghai
Design, synthesis and docking studies of novel thienopyrimidine derivatives bearing chromone moiety as mTOR/PI3Ka inhibitors.

Jiangxi Science & Technology Normal University
Novel fatty acid binding protein 4 (FABP4) inhibitors: virtual screening, synthesis and crystal structure determination.

Chinese Academy of Sciences
Design, synthesis, anticancer activity and docking studies of novel 4-morpholino-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine derivatives as mTOR inhibitors.

TBA
Potent 11ß-hydroxylase inhibitors with inverse metabolic stability in human plasma and hepatic S9 fractions to promote wound healing.

Saarland University and Helmholtz Institute For Pharmaceutical Research Saarland (Hips)
Benzo[d]isothiazole 1,1-dioxide derivatives as dual functional inhibitors of 5-lipoxygenase and microsomal prostaglandin E(2) synthase-1.

Peking University
Multitarget drug discovery for tuberculosis and other infectious diseases.

University of Illinois At Urbana-Champaign
Thermodynamic and structural characterization of halogen bonding in protein-ligand interactions: a case study of PDE5 and its inhibitors.

Chinese Academy of Sciences (Cas)
Development of 3,5-dinitrobenzoate-based 5-lipoxygenase inhibitors.

Peking University
Discovery of new potent inhibitors for carbonic anhydrase IX by structure-based virtual screening.

East China University of Science and Technology
Discovery of novel 6,7-disubstituted-4-phenoxyquinoline derivatives bearing 5-(aminomethylene)pyrimidine-2,4,6-trione moiety as c-Met kinase inhibitors.

Shenyang Pharmaceutical University
Novel 5-(benzyloxy)pyridin-2(1H)-one derivatives as potent c-Met inhibitors.

Chinese Academy of Sciences
Identification and characterization of small molecule inhibitors of signal transducer and activator of transcription 3 (STAT3) signaling pathway by virtual screening.

Fudan University
Optimization of heterocyclic substituted benzenesulfonamides as novel carbonic anhydrase IX inhibitors and their structure activity relationship.

East China University of Science and Technology
Discovery of novel inhibitors of signal transducer and activator of transcription 3 (STAT3) signaling pathway by virtual screening.

Fudan University
Chemo-Immunotherapeutic Anti-Malarials Targeting Isoprenoid Biosynthesis.

Prenylx Research Institute
HIV-1 Integrase Inhibitor-Inspired Antibacterials Targeting Isoprenoid Biosynthesis.

TBA
Head-to-head prenyl tranferases: anti-infective drug targets.

University of Illinois At Urbana-Champaign
Tryptophan-containing dipeptide derivatives as potent PPARgamma antagonists: design, synthesis, biological evaluation, and molecular modeling.

Graduate School of The Chinese Academy of Sciences
Discovery of potent small molecule inhibitors of DYRK1A by structure-based virtual screening and bioassay.

The Second Military Medical University
Design and synthesis of small molecule RhoA inhibitors: a new promising therapy for cardiovascular diseases?

East China University of Science and Technology
Novel non-peptide beta-secretase inhibitors derived from structure-based virtual screening and bioassay.

Singapore Polytechnic
Acenaphtho[1,2-b]pyrrole-based selective fibroblast growth factor receptors 1 (FGFR1) inhibitors: design, synthesis, and biological activity.

East China University of Science and Technology
Molecular docking and structure-activity relationship studies on benzothiazole based non-peptidic BACE-1 inhibitors.

Singapore Polytechnic
Discovery of highly selective inhibitors of human fatty acid binding protein 4 (FABP4) by virtual screening.

Chinese Academy of Sciences
Discovering novel quercetin-3-O-amino acid-esters as a new class of Src tyrosine kinase inhibitors.

Chinese Academy of Sciences
Halogen bonding--a novel interaction for rational drug design?

Chinese Academy of Sciences
Discovery of the First Potent DYRK2 Proteolysis Targeting Chimera Degraders.

Sun Yat-sen University
Synthesis and bioevaluation of novel stilbene-based derivatives as tubulin/HDAC dual-target inhibitors with potent antitumor activities in vitro and in vivo.

China Pharmaceutical University
Design, synthesis and biological evaluation of 4-(4-aminophenoxy)picolinamide derivatives as potential antitumor agents.

The First Affiliated Hospital of Wenzhou Medical University
Design, synthesis, and biological evaluation of novel 1-amido-2-one-4-thio-deoxypyranose as potential antitumor agents for multiple myeloma.

Chinese Academy of Sciences
Discovery of MT-1207: A Novel, Potent Multitarget Inhibitor as a Promising Clinical Candidate for the Treatment of Hypertension.

China Pharmaceutical University
Synthesis and biological evaluation of multimodal monoaminergic arylpiperazine derivatives with potential antidepressant profile.

University of Chinese Academy of Sciences
Discovery of Novel 1-Phenylpiperidine Urea-Containing Derivatives Inhibiting β-Catenin/BCL9 Interaction and Exerting Antitumor Efficacy through the Activation of Antigen Presentation of cDC1 Cells.

Anhui University of Chinese Medicine
Design, synthesis and structure-activity relationship of 1,8-naphthalimide derivatives as highly potent hCYP1B1 inhibitors.

Nanjing University of Chinese Medicine
Design, synthesis, and biological evaluation of 4-(2-fluorophenoxy)-7-methoxyquinazoline derivatives as dual EGFR/c-Met inhibitors for the treatment of NSCLC.

Jiangxi Science & Technology Normal University
Fragment-Based Anti-inflammatory Agent Design and Target Identification: Discovery of AF-45 as an IRAK4 Inhibitor to Treat Ulcerative Colitis and Acute Lung Injury.

Wenzhou Medical University
Pyrrole-containing hybrids as potential anticancer agents: An insight into current developments and structure-activity relationships.

Jiangxi Science & Technology Normal University
Research progress on small molecule inhibitors targeting KRAS G12C with acrylamide structure and the strategies for solving KRAS inhibitor resistance.

Jiangxi Science & Technology Normal University
Discovery of Effective Dual PROTAC Degraders for Neurodegenerative Disease-Associated Aggregates.

Sun Yat-sen University
Thiazole-based analogues as potential antibacterial agents against methicillin-resistant Staphylococcus aureus (MRSA) and their SAR elucidation.

Jiangxi Science & Technology Normal University
Comparative molecular field analysis of the binding of the stereoisomers of fenoterol and fenoterol derivatives to the beta2 adrenergic receptor.

Medical University of Lublin
Regulation of Eukaryotic Translation Initiation Factor 4E as a Potential Anticancer Strategy.

Qingdao University of Science and Technology
Design and synthesis of cantharidin derivative DCZ5418 as a TRIP13 inhibitor with anti-multiple myeloma activity in vitro and in vivo.

Shanghai Institute of Materia Medica
Discovery of Small-Molecule Degraders for Alpha-Synuclein Aggregates.

Sun Yat-Sen University
Design, synthesis and biological evaluation of salicylanilides as novel allosteric inhibitors of human pancreatic lipase.

Shanghai University of Traditional Chinese Medicine
Discovery of novel and selective SIK2 inhibitors by the application of AlphaFold structures and generative models.

Insilico Medicine Shanghai
Targeted Degradation of Alpha-Synuclein by Autophagosome-Anchoring Chimera Peptides.

Sun Yat-Sen University
Discovery of the Diphenyl 6-Oxo-1,6-dihydropyridazine-3-carboxylate/carboxamide Analogue J27 for the Treatment of Acute Lung Injury and Sepsis by Targeting JNK2 and Inhibiting the JNK2-NF-κB/MAPK Pathway.

Wenzhou Medical University
Discovery of Linvencorvir (RG7907), a Hepatitis B Virus Core Protein Allosteric Modulator, for the Treatment of Chronic HBV Infection.

China Innovation Center of Roche
Anti-Aβ42 Aggregative Polyketides from the Antarctic Psychrophilic Fungus

Ocean University of China
Overview of piperlongumine analogues and their therapeutic potential.

Nantong University
Potent benzimidazole sulfonamide protein tyrosine phosphatase 1B inhibitors containing the heterocyclic (S)-isothiazolidinone phosphotyrosine mimetic.

Incyte
The new opportunities in medicinal chemistry of fourth-generation EGFR inhibitors to overcome C797S mutation.

Jiangxi Science & Technology Normal University
Structure-Activity Relationship Study of Indolin-5-yl-cyclopropanamine Derivatives as Selective Lysine Specific Demethylase 1 (LSD1) Inhibitors.

Shanghai Institute of Materia Medica
Discovery of a Novel Vascular Disrupting Agent Inhibiting Tubulin Polymerization and HDACs with Potent Antitumor Effects.

China Pharmaceutical University
Structure-based design and discovery of protein tyrosine phosphatase inhibitors incorporating novel isothiazolidinone heterocyclic phosphotyrosine mimetics.

Incyte
Chemo- and Site-Selective Lysine Modification of Peptides and Proteins under Native Conditions Using the Water-Soluble Zolinium.

Chinese Academy of Sciences
Telocinobufagin Has Antitumor Effects in Non-Small-Cell Lung Cancer by Inhibiting STAT3 Signaling.

Wenzhou Medical University
Small molecule approaches to treat autoimmune and inflammatory diseases (Part II): Nucleic acid sensing antagonists and inhibitors.

Roche Innovation Center Shanghai
Photosensitive and Photoswitchable TRPA1 Agonists Optically Control Pain through Channel Desensitization.

Qingdao University Medical College
Rational Design and Development of Novel CDK9 Inhibitors for the Treatment of Acute Myeloid Leukemia.

Chinese Academy of Sciences
Design, synthesis, docking, molecular dynamics and bioevaluation studies on novel N-methylpicolinamide and thienopyrimidine derivatives with inhibiting NF-κB and TAK1 activities: Cheminformatics tools RDKit applied in drug design.

China Pharmaceutical University
Discovery of chiral N-2'-aryletheryl-1'-alkoxy-ethyl substituted arylisoquinolones with anti-inflammatory activity from the nucleophilic addition reactions of the thiophenols and oxazolinium.

Chinese Academy of Sciences
Mechanism-Based Design of 3-Amino-4-Halocyclopentenecarboxylic Acids as Inactivators of GABA Aminotransferase.

Northwestern University
Discovery of thiapyran-pyrimidine derivatives as potential EGFR inhibitors.

Jiangxi Science & Technology Normal University
Design, synthesis and antitumor activity of novel thiophene-pyrimidine derivatives as EGFR inhibitors overcoming T790M and L858R/T790M mutations.

Jiangxi Science & Technology Normal University
Piperlonguminine and Piperine Analogues as TrxR Inhibitors that Promote ROS and Autophagy and Regulate p38 and Akt/mTOR Signaling.

Nantong University
Isolation and Structural Characterization of Specific Bacterial β-Glucuronidase Inhibitors from Noni (

Wayne State University
Design and Synthesis of Orally Bioavailable 4-Methyl Heteroaryldihydropyrimidine Based Hepatitis B Virus (HBV) Capsid Inhibitors.

Roche Innovation Center Shanghai
Synthesis, biological evaluation, and molecular docking study of novel allyl-retrochalcones as a new class of protein tyrosine phosphatase 1B inhibitors.

Wenzhou Medical University
A New Approach of Mitigating CYP3A4 Induction Led to the Discovery of Potent Hepatitis B Virus (HBV) Capsid Inhibitor with Optimal ADMET Profiles.

TBA
Design, synthesis and biological evaluation of AZD9291 derivatives as selective and potent EGFR

Jiangxi Science & Technology Normal University
INCB050465 (Parsaclisib), a Novel Next-Generation Inhibitor of Phosphoinositide 3-Kinase Delta (PI3Kδ).

Incyte
Pharmacokinetics-Driven Optimization of 4(3 H)-Pyrimidinones as Phosphodiesterase Type 5 Inhibitors Leading to TPN171, a Clinical Candidate for the Treatment of Pulmonary Arterial Hypertension.

Chinese Academy of Sciences
Design, synthesis and 3D-QSAR analysis of novel thiopyranopyrimidine derivatives as potential antitumor agents inhibiting A549 and Hela cancer cells.

Jiangxi Science & Technology Normal University
Design, synthesis, and docking studies of phenylpicolinamide derivatives bearing 1H-pyrrolo[2,3-b]pyridine moiety as c-Met inhibitors.

Jiangxi Science & Technology Normal University
Design, synthesis and biological evaluation of novel pyrimidine, 3-cyanopyridine and m-amino-N-phenylbenzamide based monocyclic EGFR tyrosine kinase inhibitors.

Chinese Academy of Sciences
Structure-based design and synthesis of C-1- and C-4-modified analogs of zanamivir as neuraminidase inhibitors.

Chinese Academy of Sciences
Combining pharmacophore, docking and substructure search approaches to identify and optimize novel B-RafV600E inhibitors.

Chinese Academy of Sciences
Synthesis of C-4-modified zanamivir analogs as neuraminidase inhibitors and their anti-AIV activities.

Chinese Academy of Sciences
Discovering potassium channel blockers from synthetic compound database by using structure-based virtual screening in conjunction with electrophysiological assay.

Chinese Academy of Sciences
Synthesis and antiproliferative activity of 6,7-disubstituted-4-phenoxyquinoline derivatives bearing the 1,8-naphthyridin-2-one moiety.

Jiangxi Science & Technology Normal University
Synthesis and bioevaluation and doking study of 1H-pyrrolo[2,3-b]pyridine derivatives bearing aromatic hydrazone moiety as c-Met inhibitors.

Jiangxi Science & Technology Normal University
Synthesis and antiproliferative activity of pyrrolo[2,3-b]pyridine derivatives bearing the 1,8-naphthyridin-2-one moiety.

Jiangxi Science & Technology Normal University
Design and synthesis of novel pyrimido[5,4-d]pyrimidine derivatives as GPR119 agonist for treatment of type 2 diabetes.

Jiangxi University of Traditional Chinese Medicine
Synthesis and bioevaluation study of novel N-methylpicolinamide and thienopyrimidine derivatives as selectivity c-Met kinase inhibitors.

Jiangxi Science & Technology Normal University
Design, synthesis and antitumor activity of Novel Sorafenib derivatives bearing pyrazole scaffold.

Jiangxi Science & Technology Normal University
Design, synthesis, antiproliferative activity and docking studies of quinazoline derivatives bearing 2,3-dihydro-indole or 1,2,3,4-tetrahydroquinoline as potential EGFR inhibitors.

Jiangxi Science & Technology Normal University
Discovery of novel pyrrolo-pyridine/pyrimidine derivatives bearing pyridazinone moiety as c-Met kinase inhibitors.

Jiangxi Science & Technology Normal University
Design, synthesis, and docking studies of quinazoline analogues bearing aryl semicarbazone scaffolds as potent EGFR inhibitors.

Jiangxi Science & Technology Normal University
Discovery of novel 7-azaindole derivatives bearing dihydropyridazine moiety as c-Met kinase inhibitors.

Jiangxi Science and Technology Normal University
Design, Synthesis, and Pharmacological Evaluation of Novel Multisubstituted Pyridin-3-amine Derivatives as Multitargeted Protein Kinase Inhibitors for the Treatment of Non-Small Cell Lung Cancer.

University of Chinese Academy of Sciences
STING MODULATOR COMPOUNDS WITH SULFAMATE LINKAGES, AND METHODS OF MAKING AND USING

Takeda Pharmaceutical
Allosteric EGFR inhibitors and methods of use thereof

Dana-Farber Cancer Institute
COMPOUNDS FOR INHIBITING INOSITOL HEXAKISPHOSPHATE KINASE (IP6K) AND METHODS OF USE THEREOF

Lieber Institute
Pyrazolo[3,4-d]pyrrolo[1,2-b]pyridazinyl compounds useful as IRAK4 inhibitors

Bristol-Myers Squibb
DITHIENYL DISULFIRAM DERIVATIVES AS SELECTIVE ALDH1A1 INHIBITORS

Batterjee Medical College
INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR

Oric Pharmaceuticals
3-CYCLOAMINO-INDOLE COMPOUNDS AS SEROTONERGIC AGENTS USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO

Mindset Pharma
BRD4 inhibitor as well as a preparative method and use thereof

Hinova Pharmaceuticals
N-heteroaryl indazole derivatives as LRRK2 inhibitors, pharmaceutical compositions, and uses thereof

Merck Sharp & Dohme
Salt of LSD1 inhibitor and a polymorph thereof

Cspc Zhongqi Pharmaceutical Technology (Shijiazhuang)
COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THE SAME

University of Arizona
PYRIMIDINONE COMPOUNDS AND USES THEREOF

Hutchison Medipharma
Substituted pyrazolopyrazines, imidazopyrazines and [1,2,4]triazolopyrazines as allosteric SHP2 inhibitors

Revolution Medicines
FAP-targeted radiopharmaceuticals and imaging agents, and uses related thereto

Tufts College
Fused ring derivative having MGAT-2 inhibitory activity

Shionogi
Processes for the preparation of (R)-2-(7-(4-cyclopentyl-3-(trifluoromethyl)benzyloxy)-1,2,3,4-tetrahydrocyclopenta[B]indol-3-yl)acetic acid and salts thereof

Arena Pharmaceuticals
C7 substituted oxysterols and methods of use thereof

Sage Therapeutics
1H-pyrrolo[2,3-c]pyridin-7(6H)-ones and pyrazolo[3,4-c]pyridin-7(6H)-ones as inhibitors of BET proteins

Incyte
Human plasma kallikrein inhibitors

Biocryst Pharmaceuticals
5-[3-[piperazin-1-yl]-3-oxo-propyl]-imidazolidine-2,4-dione derivatives as ADAMTS 4 and 5 inhibitors for treating e.g. osteoarthritis

Galapagos
Crystal of DPP-IV long-acting inhibitor and salt

Chia Tai Tianqing Pharmaceutical Group
Indole derivative used as CRTH2 inhibitor

Chia Tai Tianqing Pharmaceutical Group
1H-pyrrolo[2,3-c]pyridin-7(6H)-ones and pyrazolo[3,4-c]pyridin-7(6H)-ones as inhibitors of BET proteins

Incyte
N-Methylbenzimidazoles as mIDH1 inhibitors

Bayer Pharma Aktiengesellschaft
Potent soluble epdxide hydrolase inhibitors

Eicosis
Cyclic peptides and use as medicines

Novartis
(Thieno[2,3-b][1,5]benzoxazepin-4-yl)piperazin-1-yl compounds as dual activity H1 inverse agonists/5-HT2A antagonists

Eli Lilly
Substituted pyrrolidines as factor xia inhibitors for the treatment thromboembolic diseases

Ono Pharmaceutical
Substituted 1,2,3,4-tetrahydropyrido[3,4-E] pyrrolo[1,2-A]pyrimidines as kinase

Allergan
Synthesis and structure-activity relationship of novel conformationally restricted analogues of serotonin as 5-HT6 receptor ligands.

Suven Life Sciences
New hybrid molecules combining benzothiophene or benzofuran with rhodanine as dual COX-1/2 and 5-LOX inhibitors: Synthesis, biological evaluation and docking study.

Alexandria University
Heteroaryl linked quinolinyl modulators of RORγt

Janssen Pharmaceutica
Amino-substituted imidazopyridazines

Bayer Pharma Aktiengesellschaft
Aniline derivatives, their preparation and their therapeutic application

Fovea Pharmaceuticals
Anti-viral compounds

Abbvie
Novel biphenyl bis-sulfonamides as acetyl and butyrylcholinesterase inhibitors: Synthesis, biological evaluation and molecular modeling studies.

Government College University
Cycloalkane carboxylic acid derivatives as CXCR3 receptor antagonists

Sanofi
Pyrazolopyrimidine compounds as kinase inhibitors

Principia Biopharma
Oxadiazole inhibitors of leukotriene production

Boehringer Ingelheim International
Cellular inhibition of protein tyrosine phosphatase 1B by uncharged thioxothiazolidinone derivatives.

Mcgill University
IBAT inhibitors for the treatment of liver disease

Albireo