AUTHOR=March-Vila Eric , Pinzi Luca , Sturm Noé , Tinivella Annachiara , Engkvist Ola , Chen Hongming , Rastelli Giulio 

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

JOURNAL=Frontiers in Pharmacology

VOLUME=8

YEAR=2017

URL=https://www.frontiersin.org/journals/pharmacology/articles/10.3389/fphar.2017.00298

DOI=10.3389/fphar.2017.00298

ISSN=1663-9812

ABSTRACT=<p>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 examples 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 ultimately drug–disease associations.</p>