Discovery of novel morpholino–quinoxalines as PI3Kα inhibitors by pharmacophore-based screening

…, L Zhang, J Xu, S Weng, Y Li, T Liu, X Dong, M Sun…

文献索引：Wu, Peng; Su, Yi; Liu, Xiaowen; Yan, Jingying; Ye, Yong; Zhang, Lei; Xu, Jianchao; Weng, Shaoyu; Li, Yani; Liu, Tao; Dong, Xiaowu; Sun, Maotang; Yang, Bo; He, Qiaojun; Hu, Yongzhou MedChemComm, 2012 , vol. 3, # 6 p. 659 - 662

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被引用次数: 10

摘要

A pharmacophore model of PI3Kα inhibitors was built using the DiscoveryStudio 2.0 package. Pharmacophore-based screening (PBS) retrieved a series of novel morpholino– quinoxalines as PI3Kα inhibitors, as exemplified by 1a (PI3Kα IC50: 0.44 μM). All target compounds showed good in vitro cytotoxicity against tested human cell lines. A pharmacophore mapping analysis and docking study indicated that both the morpholino ...