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Discovery of novel hybrids of diaryl-1,2,4-triazoles and caffeic acid as dual inhibitors of cyclooxygenase-2 and 5-lipoxygenase for cancer therapy.

China Pharmaceutical University
Design, synthesis, biological evaluation and docking study of 4-isochromanone hybrids bearing N-benzyl pyridinium moiety as dual binding site acetylcholinesterase inhibitors.

China Pharmaceutical University
Novel fatty acid binding protein 4 (FABP4) inhibitors: virtual screening, synthesis and crystal structure determination.

Chinese Academy of Sciences
Diaminopyrimidines, diaminopyridines and diaminopyridazines as histamine H4 receptor modulators.

Janssen Research and Development
Discovery of 5-chloro-4-((1-(5-chloropyrimidin-2-yl)piperidin-4-yl)oxy)-1-(2-fluoro-4-(methylsulfonyl)phenyl)pyridin-2(1H)-one (BMS-903452), an antidiabetic clinical candidate targeting GPR119.

Departments of Discovery Chemistry, Metabolic Diseases, Lead Evaluation, Computer-Assisted Drug Design, Discovery Toxicology, Exploratory Clinical and Translational Research, and Pharmaceutical Candi
Imidazopyridine-Based Fatty Acid Synthase Inhibitors That Show Anti-HCV Activity and in Vivo Target Modulation.

3-V Biosciences
5-(2-Pyrimidinyl)-imidazo[1,2-a]pyridines are antibacterial agents targeting the ATPase domains of DNA gyrase and topoisomerase IV.

Pfizer
Substituted oxazolidinones as novel NPC1L1 ligands for the inhibition of cholesterol absorption.

Pfizer
Triamino pyrimidines and pyridines as histamine H(4) receptor modulators.

Johnson & Johnson Pharmaceutical Research & Development
Discovery of highly selective inhibitors of human fatty acid binding protein 4 (FABP4) by virtual screening.

Chinese Academy of Sciences
Pyrazole-based arylalkyne cathepsin S inhibitors. Part II: optimization of cellular potency.

Johnson & Johnson Pharmaceutical Research and Development
Identification and SAR of novel diaminopyrimidines. Part 1: The discovery of RO-4, a dual P2X(3)/P2X(2/3) antagonist for the treatment of pain.

Roche Palo Alto
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
Aminocyclohexylsulfonamides: discovery of metabolically stable alpha(1a/1d)-selective adrenergic receptor antagonists for the treatment of benign prostatic hyperplasia/lower urinary tract symptoms (BPH/LUTS).

Johnson & Johnson Pharmaceutical Research and Development
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
Design, synthesis, and biological evaluation of 3-phenyl substituted pyridine derivatives as potential dual inhibitors of XOR and URAT1.

South China University of Technology
Small-molecule agents for treating skin diseases.

Hangzhou Normal University
Discovery of matrix metalloproteinase inhibitors as anti-skin photoaging agents.

Hangzhou Normal University
Pyrazole-based cathepsin S inhibitors with improved cellular potency.

Johnson & Johnson Pharmaceutical Research & Development
Artificial Intelligence-Assisted Optimization of Antipigmentation Tyrosinase Inhibitors: De Novo Molecular Generation Based on a Low Activity Lead Compound.

Hangzhou Normal University
Ligand- and structure-based identification of novel CDK9 inhibitors for the potential treatment of leukemia.

South China University of Technology
Discovery of a dual-acting inhibitor of interleukin-1β and STATs for the treatment of inflammatory bowel disease.

Guangzhou Medical University
Optimization of physicochemical properties of pyrrolidine GPR40 AgoPAMs results in a differentiated profile with improved pharmacokinetics and reduced off-target activities.

Bristol Myers Squibb
Preparation and biological evaluation of indole, benzimidazole, and thienopyrrole piperazine carboxamides: potent human histamine h(4) antagonists.

Johnson & Johnson Pharmaceutical Research and Development
Discovery of small-molecule compounds and natural products against Parkinson's disease: Pathological mechanism and structural modification.

Zhejiang University
Telocinobufagin Has Antitumor Effects in Non-Small-Cell Lung Cancer by Inhibiting STAT3 Signaling.

Wenzhou Medical University
Discovery of a Novel Oral Proteasome Inhibitor to Block NLRP3 Inflammasome Activation with Anti-inflammation Activity.

Guangzhou Medical University
Discovery and SAR studies of a novel series of noncovalent cathepsin S inhibitors.

Johnson and Johnson Pharmaceutical Research and Development
Nonpeptidic, noncovalent inhibitors of the cysteine protease cathepsin S.

Johnson & Johnson Pharmaceutical Research and Development
Identification and synthesis of substituted pyrrolo[2,3-d]pyrimidines as novel firefly luciferase inhibitors.

Chinese Academy of Sciences
Discovery of Pyrrolidine-Containing GPR40 Agonists: Stereochemistry Effects a Change in Binding Mode.

Bristol-Myers Squibb
Discovery of Potent and Orally Bioavailable Dihydropyrazole GPR40 Agonists.

Bristol-Myers Squibb
Phenylpyrazole derivatives as potent ROCK1 and ROCK2 inhibitors

Bristol-Myers Squibb
Nostotrebin 6, a bis(cyclopentenedione) with cholinesterase inhibitory activity isolated from Nostoc sp. str. Lukesová 27/97.

Brno University of Technology
Crystal structure of 3-hydroxybenzoate 6-hydroxylase uncovers lipid-assisted flavoprotein strategy for regioselective aromatic hydroxylation.

Wageningen University
Substituted aminotetrahydrothiopyrans and derivatives thereof as dipeptidyl peptidase-IV inhibitors for the treatment of diabetes

Merck Sharp & Dohme
Inhibitors of tubulin assembly identified through screening a compound library.

The Ohio State University