Chuan Shih

TL;DR: This study presents the structure of IDO1 in complex with 24, a NLG919 analogue with potent activity and demonstrates that extensive hydrophobic interactions and the unique hydrogen bonding network contribute to the great potency of imidazoleisoindole derivatives.

TL;DR: Molecular dynamics simulation and density functional theory calculation suggest that BPR056 interacted with FLT3 in a stable manner and could be chemically optimized to realize a drug-like lead in the future.

TL;DR: N'-(4-bromophenyl)-2-oxo-2,3-dihydro-1H-indole-5-sulfonyl hydrazide 40, which demonstrated 59% oral bioavailability and 73% of tumor growth delay without apparent body weight loss in the murine CT26 syngeneic model, is proposed as a potential drug lead worthy of advanced preclinical evaluation.

TL;DR: A structure-based virtual screening strategy, comprising homology modeling, ligand-support binding site optimization, virtual screening, and structure clustering analysis, was developed and used to identify novel tryptophan 2,3-dioxygenase (TDO) inhibitors.

TL;DR: The combination treatment, wherein a tylophorine compound targets TGEV and aJAK2 inhibitor blocks the alternative dominant NF-κB activation mediated by JAK2, is more effective and comprehensive than either one alone and constitutes a feasible approach for the treatment of SARS- coV or MERS-CoV.