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

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 prese...

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Autores principales:	Tarun Jairaj Narwani, Narayanaswamy Srinivasan, Sohini Chakraborti
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/88e8583a06c145438621f9af82c4d617
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spelling	oai:doaj.org-article:88e8583a06c145438621f9af82c4d6172021-12-02T18:18:33ZNOD: a web server to predict New use of Old Drugs to facilitate drug repurposing10.1038/s41598-021-92903-82045-2322https://doaj.org/article/88e8583a06c145438621f9af82c4d6172021-06-01T00:00:00Zhttps://doi.org/10.1038/s41598-021-92903-8https://doaj.org/toc/2045-2322Abstract 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/ .Tarun Jairaj NarwaniNarayanaswamy SrinivasanSohini ChakrabortiNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 11, Iss 1, Pp 1-8 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Tarun Jairaj Narwani Narayanaswamy Srinivasan Sohini Chakraborti NOD: a web server to predict New use of Old Drugs to facilitate drug repurposing
description	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/ .
format	article
author	Tarun Jairaj Narwani Narayanaswamy Srinivasan Sohini Chakraborti
author_facet	Tarun Jairaj Narwani Narayanaswamy Srinivasan Sohini Chakraborti
author_sort	Tarun Jairaj Narwani
title	NOD: a web server to predict New use of Old Drugs to facilitate drug repurposing
title_short	NOD: a web server to predict New use of Old Drugs to facilitate drug repurposing
title_full	NOD: a web server to predict New use of Old Drugs to facilitate drug repurposing
title_fullStr	NOD: a web server to predict New use of Old Drugs to facilitate drug repurposing
title_full_unstemmed	NOD: a web server to predict New use of Old Drugs to facilitate drug repurposing
title_sort	nod: a web server to predict new use of old drugs to facilitate drug repurposing
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/88e8583a06c145438621f9af82c4d617
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NOD: a web server to predict New use of Old Drugs to facilitate drug repurposing

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