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GluN2A-Selective Pyridopyrimidinone Series of NMDAR Positive Allosteric Modulators with an Improved

Genentech
Discovery of GluN2A-Selective NMDA Receptor Positive Allosteric Modulators (PAMs): Tuning Deactivation Kinetics via Structure-Based Design.

Pharmaron-Beijing
The discovery of Polo-like kinase 4 inhibitors: identification of (1R,2S).2-(3-((E).4-(((cis).2,6-dimethylmorpholino)methyl)styryl). 1H.indazol-6-yl)-5'-methoxyspiro[cyclopropane-1,3'-indolin]-2'-one (CFI-400945) as a potent, orally active antitumor agent.

TBA
Discovery of inhibitors of the mitotic kinase TTK based on N-(3-(3-sulfamoylphenyl)-1H-indazol-5-yl)-acetamides and carboxamides.

University Health Network
Identification of novel thiadiazoloacrylamide analogues as inhibitors of dengue-2 virus NS2B/NS3 protease.

China Pharmaceutical University
Discovery of 2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide derivatives as new ROR¿ inhibitors using virtual screening, synthesis and biological evaluation.

Chinese Academy of Sciences
Thermodynamic and structural characterization of halogen bonding in protein-ligand interactions: a case study of PDE5 and its inhibitors.

Chinese Academy of Sciences (Cas)
The discovery of PLK4 inhibitors: (E)-3-((1H-Indazol-6-yl)methylene)indolin-2-ones as novel antiproliferative agents.

Entremed
Inhibitory mode of 1,5-diarylpyrazole derivatives against cyclooxygenase-2 and cyclooxygenase-1: molecular docking and 3D QSAR analyses.

Chinese Academy of Sciences
Discovery of P2X3 selective antagonists for the treatment of chronic pain.

Astrazeneca
Novel thiophene derivatives as PTP1B inhibitors with selectivity and cellular activity.

Chinese Academy of Sciences
Tryptophan-containing dipeptide derivatives as potent PPARgamma antagonists: design, synthesis, biological evaluation, and molecular modeling.

Graduate School of The Chinese Academy of Sciences
Design, synthesis, and biological evaluation of the N-diarylalkenyl-piperidinecarboxylic acid derivatives as GABA uptake inhibitors (I).

Fudan University
¿-Carbolines: a novel class of cannabinoid agonists with high aqueous solubility and restricted CNS penetration.

Astrazeneca R&D Montreal
Design, synthesis, and interaction study of quinazoline-2(1H)-thione derivatives as novel potential Bcl-xL inhibitors.

Chinese Academy of Sciences
Insight into binding of phosphodiesterase-9A selective inhibitors by crystal structures and mutagenesis.

University of North Carolina
Halogen bonding--a novel interaction for rational drug design?

Chinese Academy of Sciences
Novel benzimidazole derivatives as selective CB2 agonists.

Astrazeneca R&D MontréAl
A potent, selective and cell-active allosteric inhibitor of protein arginine methyltransferase 3 (PRMT3).

Icahn School Of Medicine At Mount Sinai
Identifying Marine-Derived Tanzawaic Acid Derivatives as Novel Inhibitors against Osteoclastogenesis and Osteoporosis via Downregulation of NF-κB and NFATc1 Activation.

Chinese Academy of Sciences
Synthetically Feasible De Novo Molecular Design of Leads Based on a Reinforcement Learning Model: AI-Assisted Discovery of an Anti-IBD Lead Targeting CXCR4.

Hangzhou Normal University
Artificial Intelligence-Assisted Optimization of Antipigmentation Tyrosinase Inhibitors: De Novo Molecular Generation Based on a Low Activity Lead Compound.

Hangzhou Normal University
Design, synthesis, and biological evaluation of 5-(1H-indol-5-yl)isoxazole-3-carboxylic acids as novel xanthine oxidase inhibitors.

Wuhan Institute of Technology
Discovery of PVD-06 as a Subtype-Selective and Efficient PTPN2 Degrader.

Shanghai Institute of Materia Medica
Discovery of Anti-Hypercholesterolemia Agents Targeting LXRα from Marine Microorganism-Derived Natural Products.

Guangxi University of Chinese Medicine
Novel 1,8-Naphthalimide Derivatives As Antitumor Agents and Potent Demethylase Inhibitors.

Nanjing Normal University
Indole derivatives as potent inhibitors of 5-lipoxygenase: design, synthesis, biological evaluation, and molecular modeling.

Chinese Academy of Sciences
Discovery of a Novel Bifunctional Steroid Analog, YXG-158, as an Androgen Receptor Degrader and CYP17A1 Inhibitor for the Treatment of Enzalutamide-Resistant Prostate Cancer.

Shanghai Institute of Materia Medica
Structure-activity relationships of Wee1 inhibitors: A review.

Sichuan University
Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies.

Novartis Institutes For Biomedical Research
Discovery of 3,4-Dihydrobenzo[

Sichuan University
Discovery of benzo[d]oxazol-2(3H)-one derivatives as a new class of TNIK inhibitors for the treatment of colorectal cancer.

Sichuan University
Structural Feature Analyzation Strategies toward Discovery of Orally Bioavailable PROTACs of Bruton's Tyrosine Kinase for the Treatment of Lymphoma.

Zhejiang University
Triazine-Based Covalent DNA-Encoded Libraries for Discovery of Covalent Inhibitors of Target Proteins.

Chinese Academy of Sciences
Design, Synthesis, and Biological Evaluation of Androgen Receptor Degrading and Antagonizing Bifunctional Steroidal Analogs for the Treatment of Advanced Prostate Cancer.

Shanghai Institute of Materia Medica
Structural Optimization and Structure-Activity Relationship Studies of 6,6-Dimethyl-4-(phenylamino)-6

Sichuan University
Discovery of Spiro-azaindoline Inhibitors of Hematopoietic Progenitor Kinase 1 (HPK1).

Genentech
Peptidylarginine deiminases 4 as a promising target in drug discovery.

Zhejiang Ocean University
Discovery of Cyclic Peptidomimetic Ligands Targeting the Extracellular Domain of EGFR.

University of South Florida
Exploring Marine-Derived Ascochlorins as Novel Human Dihydroorotate Dehydrogenase Inhibitors for Treatment of Triple-Negative Breast Cancer.

Guangxi University of Chinese Medicine
Discovery of thalidomide-based PROTAC small molecules as the highly efficient SHP2 degraders.

Chinese Academy of Sciences
Discovery of novel reversible monoacylglycerol lipase inhibitors via docking-based virtual screening.

Nanchang University
Molecular docking and 3D-QSAR studies on gag peptide analogue inhibitors interacting with human cyclophilin A.

Chinese Academy of Sciences
Elucidating the inhibiting mode of AHPBA derivatives against HIV-1 protease and building predictive 3D-QSAR models.

Chinese Academy of Sciences
Diterpenoids from the Root Bark of

Chinese Academy of Sciences
Development of selective mono or dual PROTAC degrader probe of CDK isoforms.

Sichuan University and Collaborative Innovation Center of Biotherapy
Design and optimization of (3-aryl-1H-indazol-6-yl)spiro[cyclopropane-1,3'-indolin]-2'-ones as potent PLK4 inhibitors with oral antitumor efficacy.

Entremed
CDK8 as a therapeutic target for cancers and recent developments in discovery of CDK8 inhibitors.

Shaoxing University
Discovery of new small molecule inhibitors targeting isocitrate dehydrogenase 1 (IDH1) with blood-brain barrier penetration.

Chinese Academy of Sciences
Small molecule PROTACs in targeted therapy: An emerging strategy to induce protein degradation.

Shaoxing University
Design of Hydrazide-Bearing HDACIs Based on Panobinostat and Their p53 and FLT3-ITD Dependency in Antileukemia Activity.

Ocean University of China
Rational design of 5-((1H-imidazol-1-yl)methyl)quinolin-8-ol derivatives as novel bromodomain-containing protein 4 inhibitors.

Chinese Academy of Sciences
Exploring the Natural Piericidins as Anti-Renal Cell Carcinoma Agents Targeting Peroxiredoxin 1.

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
Design, synthesis and biological activities of 2,3-dihydroquinazolin-4(1H)-one derivatives as TRPM2 inhibitors.

Peking University
Synthesis and evaluation of hydroxychalcones as multifunctional non-purine xanthine oxidase inhibitors for the treatment of hyperuricemia.

Guangxi Medical University
Discovery of Potent and Selective Allosteric Inhibitors of Protein Arginine Methyltransferase 3 (PRMT3).

Icahn School Of Medicine At Mount Sinai
Discovery of N1-(4-((7-Cyclopentyl-6-(dimethylcarbamoyl)-7 H-pyrrolo[2,3- d]pyrimidin-2-yl)amino)phenyl)- N8-hydroxyoctanediamide as a Novel Inhibitor Targeting Cyclin-dependent Kinase 4/9 (CDK4/9) and Histone Deacetlyase1 (HDAC1) against Malignant Cancer.

Nankai University
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Olema Pharmaceuticals