Recent Progress of Computer-Aided Drug Designing in the Exploration of Androgen Receptor Dynamic Mechanisms and Drug Discovery

Androgen receptor (AR) is one of the most important targets for the treatment of male prostate cancer.Computer-aided drug design (CADD) has played an increasingly important role in the target-drug binding mechanism and the discovery of novel drugs.With the help of CADD, it is feasible to explore the dynamic mechanisms of AR-ligand complexes which will help provide important clues for the drug design targeting AR.This article reviews recent progress of CADD in the exploration of AR dynamic mechanisms and drug discovery.