Published May 23, 2017 | Version v1
Journal article Open

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

  • 1. Molecular Modelling & Drug Design Lab, Department of Life Sciences, University of Modena and Reggio Emilia, Modena, Italy
  • 2. Discovery Sciences, Innovative Medicines and Early Development Biotech Unit, AstraZeneca R&D Gothenburg, Mölndal, Sweden

Description

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.

Files

fphar-08-00298.pdf

Files (695.8 kB)

Name Size Download all
md5:acbc1f7212b13abe276369b4545fc4a9
695.8 kB Preview Download

Additional details

Funding

European Commission
BIGCHEM – Big Data in Chemistry 676434