Life beyond kinases: structure-based discovery of sorafenib as nanomolar antagonist of 5-HT receptors

X Lin, XP Huang, G Chen, R Whaley…

Index: Lin, Xingyu; Huang, Xi-Ping; Chen, Gang; Whaley, Ryan; Peng, Shiming; Wang, Yanli; Zhang, Guoliang; Wang, Simon X.; Wang, Shaohui; Roth, Bryan L.; Huang, Niu Journal of Medicinal Chemistry, 2012 , vol. 55, # 12 p. 5749 - 5759

Full Text: HTML

Citation Number: 37

Abstract

Of great interest in recent years has been computationally predicting the novel polypharmacology of drug molecules. Here, we applied an “induced-fit” protocol to improve the homology models of 5-HT2A receptor, and we assessed the quality of these models in ...