Structure-based methods for predicting target mutation-induced drug resistance and rational drug design to overcome the problem.
Drug resistance has become one of the biggest challenges in drug discovery and/or development and has attracted great research interests worldwide. During the past decade, computational strategies have been developed to predict target mutation-induced drug resistance. Meanwhile, various molecular design strategies, including targeting protein backbone, targeting highly conserved residues and dual/multiple targeting, have been used to design novel inhibitors for combating the drug resistance. In this article we review recent advances in development of computational methods for target mutation-induced drug resistance prediction and strategies for rational design of novel inhibitors that could be effective against the possible drug-resistant mutants of the target.
Key Laboratory of Pesticide & Chemical Biology of Ministry of Education, College of Chemistry, Central China Normal University, Wuhan 430079, PR China.
Ge-Fei
GF
Hao
Guang-Fu
GF
Yang
Chang-Guo
CG
Zhan
D019295:Computational Biology; D015195:Drug Design; D004351:Drug Resistance / Q000235:genetics*; D006801:Humans; D015394:Molecular Structure; D009154:Mutation