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

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 NO...

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Autores principales: Narwani, Tarun Jairaj, Srinivasan, Narayanaswamy, Chakraborti, Sohini
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8241987/
https://www.ncbi.nlm.nih.gov/pubmed/34188160
http://dx.doi.org/10.1038/s41598-021-92903-8
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author Narwani, Tarun Jairaj
Srinivasan, Narayanaswamy
Chakraborti, Sohini
author_facet Narwani, Tarun Jairaj
Srinivasan, Narayanaswamy
Chakraborti, Sohini
author_sort Narwani, Tarun Jairaj
collection PubMed
description 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/.
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spelling pubmed-82419872021-07-06 NOD: a web server to predict New use of Old Drugs to facilitate drug repurposing Narwani, Tarun Jairaj Srinivasan, Narayanaswamy Chakraborti, Sohini Sci Rep Article 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/. Nature Publishing Group UK 2021-06-29 /pmc/articles/PMC8241987/ /pubmed/34188160 http://dx.doi.org/10.1038/s41598-021-92903-8 Text en © The Author(s) 2021 https://creativecommons.org/licenses/by/4.0/Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) .
spellingShingle Article
Narwani, Tarun Jairaj
Srinivasan, Narayanaswamy
Chakraborti, Sohini
NOD: a web server to predict New use of Old Drugs to facilitate drug repurposing
title 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_short 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
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8241987/
https://www.ncbi.nlm.nih.gov/pubmed/34188160
http://dx.doi.org/10.1038/s41598-021-92903-8
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