Ming Song

TL;DR: The identification, optimization, and evaluation of benzo[cd]indol-2(1H)-one containing compounds as a new class of BET bromodomain inhibitors, starting from structure-based virtual screening (SBVS).

TL;DR: Optimization of the s4 compound led to the identification of compounds 7j, 8c, 8k, and 8p, all of which displayed significantly enhanced RORγ inhibition with IC50 values of 40-140 nM, which represent a promising starting point for developing potent small molecule R ORγ inhibitors.

TL;DR: The identification, optimization and evaluation of 1-(1H-indol-1-yl)ethanone derivatives as CBP/EP300 inhibitors starting from fragment-based virtual screening (FBVS) and a cocrystal structure of the inhibitor (22e) in complex with CBP provides a solid structural basis for further optimization.

TL;DR: The design, optimization, and evaluation of benzo[ d]isoxazole-containing compounds as potent BET bromodomain inhibitors represent a new class of compounds for the development of potential therapeutics against CRPC.

TL;DR: A series of new scaffolds of small molecule inhibitors of FABP4 were identified by virtual screening and were validated by a bioassay, which validated key residues for its inhibitory potency and provide an important clue for the further development of drugs.