On the Integration of In Silico Drug Design Methods for Drug Repurposing

TLDR

Drug repurposing is a key strategy in drug discovery, supported by various computational methods that identify new repurposing opportunities. The study aims to promote integration of diverse methods and disciplines to better predict drug‑target, target‑disease, and drug‑disease associations. The authors propose combining multiple computational approaches to map drug‑target, target‑disease, and drug‑disease relationships. Several successful repurposing examples have already been reported.

Abstract

Drug repurposing has become an important branch of drug discovery. Several computational approaches that help to uncover new repurposing opportunities and aid the discovery process have been put forward, or adapted from previous applications. A number of successful exam-ples are now available. Overall, future developments will greatly benefit from integration of different methods, approaches and disciplines. Steps forward in this direction are expected to help to clarify, and therefore to rationally predict, new drug-target, target-disease, and ulti-mately drug-disease associations.