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

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. Overal...

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Bibliographic Details
Published in:Frontiers in Pharmacology
Main Authors: Eric March-Vila, Luca Pinzi, Noé Sturm, Annachiara Tinivella, Ola Engkvist, Hongming Chen, Giulio Rastelli
Format: Article
Language:English
Published: Frontiers Media S.A. 2017-05-01
Subjects:
drug repurposing
drug discovery
molecular modeling
chemogenomics
structure-based drug design
ligand-based drug design
Online Access:http://journal.frontiersin.org/article/10.3389/fphar.2017.00298/full
Description
Summary: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.
ISSN:1663-9812

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