![]() However, due to the complexity of autophagy and disease, experimental and in silico methods should be performed synergistically for the entire process. ![]() (C) Research on targeted autophagy to treat diseases has received encouraging progress. Current and emerging methods for virtual target profiling are briefly summarized herein. (B) Virtual target profiling is a compound-centric strategy enabling a parallel implementation of interrogating compounds against various targets in a single screen, which has been used in hit/lead identification, drug repositioning, and mechanism-of-action studies. ![]() Validation against crystal structures have found that DOX prediction achieved an impressive success rate of 99%, indicating significant improvement over molecular docking method. (A) A DOX protocol has been developed for accurate protein-ligand binding structure prediction, in which first principle method was used to rank the binding poses. ![]() In this roadmap, several representative techniques and strategies are highlighted to show recent advances in this filed. Abstract: Great success has been witnessed in last decades, some new techniques and strategies have been widely used in drug discovery. ![]()
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