Pharmacophore-Based Drug Design and Biological Evaluation of Novel ABCB1 Inhibitors
会议名称：《2012长三角药物化学研讨会》
会议日期：2012年
学科分类：1007[医学-药学(可授医学、理学学位)] 100701[医学-药物化学] 10[医学]
关 键 词：ABCB1 inhibitor drug design multidrug resistance pharmacophore virtual screening
摘 要：Overexpression of ABCB1 is one of major barriers for multidrug resistance in chemotherapy and limits drug oral *** of ABCBl would sensitize MDR in clinical cancer *** this aim,a 3D pharmacophore model was created based on known ABCB1 inhibitors with correlation coefficient of 0.94,comprising three hydrophobic features and one hydrogen bond *** was further validated and used to search our in-house 3D database for