Welcome to Molecular Design Laboratory

The Molecular Design Lab was created in September 2009 at the Department of Pathophysiology, Shanghai JiaoTong University School of Medicine. Our research interests focus on drug discovery using the combination of drug design, bioinformatics, medicinal chemistry and chemical biology methods. Specially, we developed a series of allosteric methods including recognition of allosteric target, identification of allosteric site and allosteric drug screening to overcome potential selectivity and toxicity in the drug discovery. Inspired by the advantage of the methods, novel allosteric activators/inhibitors were discovered in several drug targets and used to address the challenges of finely-tuned biological regulation and human disorder treatment and medicine.

News

2022 New paper accepted: Rational design of a sensitivity-enhanced tracer for discovering efficient APC–Asef inhibitors." has been accepted by Nat Commun.
2022 New paper accepted: Targeting a cryptic allosteric site of SIRT6 with small-molecule inhibitors that inhibit the migration of pancreatic cancer cells." has been accepted by Acta. Pharm. Sin. B.
2021 New paper accepted: The paper titled "Activation pathway of a G protein-coupled receptor uncovers conformational intermediates as novel targets for allosteric drug design." has been accepted by Nat. Commun.
2020 New paper accepted: The paper titled "IDDB: a comprehensive resource featuring genes, variants, and characteristics associated with Infertility." has been accepted by Nucleic Acids Res.
2019 New paper accepted: The paper titled "Unraveling allosteric landscapes of allosterome with ASD." has been accepted by Nucleic Acids Res.
2019 New paper accepted: The paper titled "AlloDriver: a method for the identification and analysis of cancer driver targets." has been accepted by Nucleic Acids Res.