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Current Medicinal Chemistry

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ISSN (Online): 1875-533X

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Review Article

Web-based Tools for Drug Repurposing: Successful Examples of Collaborative Research

Author(s): Quentin Vanhaelen*

Volume 28, Issue 1, 2021

Published on: 28 January, 2020

Page: [181 - 195] Pages: 15

DOI: 10.2174/0929867327666200128111925

Price: $65

Abstract

Computational approaches have been proven to be complementary tools of interest in identifying potential candidates for drug repurposing. However, although the methods developed so far offer interesting opportunities and could contribute to solving issues faced by the pharmaceutical sector, they also come with their constraints. Indeed, specific challenges ranging from data access, standardization and integration to the implementation of reliable and coherent validation methods must be addressed to allow systematic use at a larger scale. In this mini-review, we cover computational tools recently developed for addressing some of these challenges. This includes specific databases providing accessibility to a large set of curated data with standardized annotations, web-based tools integrating flexible user interfaces to perform fast computational repurposing experiments and standardized datasets specifically annotated and balanced for validating new computational drug repurposing methods. Interestingly, these new databases combined with the increasing number of information about the outcomes of drug repurposing studies can be used to perform a meta-analysis to identify key properties associated with successful drug repurposing cases. This information could further be used to design estimation methods to compute a priori assessment of the repurposing possibilities.

Keywords: Drug repurposing, web-based tools, database, computational methods, validation, data integration.

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