NOD: a web server to predict New use of Old Drugs to facilitate drug repurposing

Narwani, TJ and Srinivasan, N and Chakraborti, S (2021) NOD: a web server to predict New use of Old Drugs to facilitate drug repurposing. In: Scientific Reports, 11 (1).

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Abstract

Computational methods accelerate the drug repurposing pipelines that are a quicker and cost-effective alternative to discovering new molecules. However, there is a paucity of web servers to conduct fast, focussed, and customized investigations for identifying new uses of old drugs. We present the NOD web server, which has the mentioned characteristics. NOD uses a sensitive sequence-guided approach to identify close and distant homologs of a protein of interest. NOD then exploits this evolutionary information to suggest potential compounds from the DrugBank database that can be repurposed against the input protein. NOD also allows expansion of the chemical space of the potential candidates through similarity searches. We have validated the performance of NOD against available experimental and/or clinical reports. In 65.6 of the investigated cases in a control study, NOD is able to identify drugs more effectively than the searches made in DrugBank. NOD is freely-available at http://pauling.mbu.iisc.ac.in/NOD/NOD/. © 2021, The Author(s).

Item Type:	Journal Article
Publication:	Scientific Reports
Publisher:	Nature Research
Additional Information:	The copyright for this article belongs to the Authors.
Department/Centre:	Division of Biological Sciences > Molecular Biophysics Unit
Date Deposited:	14 Sep 2021 11:21
Last Modified:	14 Sep 2021 11:21
URI:	http://eprints.iisc.ac.in/id/eprint/69581

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