Overview of Drug Polypharmacology and Multitargeted Molecular Design

摘要: The “one drug, one target, and disease” model is partially contributing to the increased failures of clinical trials due its lacking consideration side effects or toxicities in early stage drug discovery development. To tackle this issue, an alternative approach being adopted study simultaneous interactions small molecules with multiple specific targets, also known as polypharmacology. It allows exploration multitargeting activities facilitates potential repositioning. Although exhaustive polypharmacology studies in vitro in vivo not practical, computational methods are developed have significantly driven field forward. In article, we discuss status review current state-of-the-art in silico that used for rational design multitargeted therapeutics treat complex diseases such cancer.