Insight into the selective mechanism of phosphoinositide 3‐kinase γ with benzothiazole and thiazolopiperidine γ‐specific inhibitors by in silico approaches - Zhu, Jingyu; Li, Kan; Xu, Lei; Jin, Jian (Chemical biology & drug design, 2019)
Keywords: Benzothiazoles - chemistry; Benzothiazoles - metabolism; Binding Sites; Catalytic Domain; Class Ib Phosphatidylinositol 3-Kinase - chemistry; Class Ib Phosphatidylinositol 3-Kinase - metabolism; Enzyme Inhibitors - chemistry; Enzyme Inhibitors - metabolism; Humans; Ligands; MM‐GBSA; molecular docking; Molecular Docking Simulation; molecular dynamic simulation; Molecular Dynamics Simulation; PI3Kγ; Piperidines - chemistry; Piperidines - metabolism; selective inhibitor; Thermodynamics; selective inhibitor; molecular docking; PI3Kγ; molecular dynamic simulation; MM-GBSA