In silico repositioning of approved drugs for rare and neglected diseases

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Sean Ekins, Antony J. Williams, Matthew D. Krasowski and Joel S. Freundlich discuss how drug repurposing will emerge for neglected or rare and/or orphan diseases. Using proof-of-principle examples, they suggest that with current in silico technologies and databases of the structures and biological activities of chemical compounds (drugs) and related data, as well as close integration with in vitro screening data, improved opportunities for drug repurposing will emerge for neglected or rare/orphan diseases.

The authors conclude that, in their opinion, some or all of the discussed in silico approaches should be used alongside in vitro methods to drug repurposing, if for no other reason than to speed up the process of drug discovery at little additional cost.

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