Molecular docking and identification of G-protein-coupled receptor 120 (GPR120) agonists as SARS COVID-19 MPro inhibitors

COVID-19 has become a pandemic, and any new drug for treating the disease could save millions of lives. Several drugs already in use for other diseases and medical conditions are repurposed for treating COVID-19 in an attempt to find treatment for the disease without spending research time on ADME T...

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Autores principales: Mohan, Sellappan, Dharani, Jayagopal, Natarajan, Ramanathan, Nagarajan, Arumugam
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer Berlin Heidelberg 2022
Materias:
Research
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9289937/
https://www.ncbi.nlm.nih.gov/pubmed/35849279
http://dx.doi.org/10.1186/s43141-022-00375-8
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author Mohan, Sellappan
Dharani, Jayagopal
Natarajan, Ramanathan
Nagarajan, Arumugam
author_facet Mohan, Sellappan
Dharani, Jayagopal
Natarajan, Ramanathan
Nagarajan, Arumugam
author_sort Mohan, Sellappan
collection PubMed
description COVID-19 has become a pandemic, and any new drug for treating the disease could save millions of lives. Several drugs already in use for other diseases and medical conditions are repurposed for treating COVID-19 in an attempt to find treatment for the disease without spending research time on ADME TOX and other studies on side effects. In this exercise, the drugs repurposed are from antiviral, antibiotics, antiviral for HIV and HCV, anti-cancer, natural medicines, etc. Possible repurposing anti-diabetic GPR-120 agonists used as for SAR-CoV-2 is attempted in the study by carrying out docking of 68 GPR-120 agonists. Ten of these compounds were found to have docking scores −8.3 to −8.0, and the best docking score was observed for an arylsulfonamide and a biarylpropanoic acid belonging to GPR120 agonists previously evaluated for the treatment of type II diabetes. These GPR120 agonists could serve as start point for novel inhibitors for the discovery of drugs to treat COVID-19. SUPPLEMENTARY INFORMATION: The online version contains supplementary material available at 10.1186/s43141-022-00375-8.
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spelling pubmed-92899372022-07-18 Molecular docking and identification of G-protein-coupled receptor 120 (GPR120) agonists as SARS COVID-19 MPro inhibitors Mohan, Sellappan Dharani, Jayagopal Natarajan, Ramanathan Nagarajan, Arumugam J Genet Eng Biotechnol Research COVID-19 has become a pandemic, and any new drug for treating the disease could save millions of lives. Several drugs already in use for other diseases and medical conditions are repurposed for treating COVID-19 in an attempt to find treatment for the disease without spending research time on ADME TOX and other studies on side effects. In this exercise, the drugs repurposed are from antiviral, antibiotics, antiviral for HIV and HCV, anti-cancer, natural medicines, etc. Possible repurposing anti-diabetic GPR-120 agonists used as for SAR-CoV-2 is attempted in the study by carrying out docking of 68 GPR-120 agonists. Ten of these compounds were found to have docking scores −8.3 to −8.0, and the best docking score was observed for an arylsulfonamide and a biarylpropanoic acid belonging to GPR120 agonists previously evaluated for the treatment of type II diabetes. These GPR120 agonists could serve as start point for novel inhibitors for the discovery of drugs to treat COVID-19. SUPPLEMENTARY INFORMATION: The online version contains supplementary material available at 10.1186/s43141-022-00375-8. Springer Berlin Heidelberg 2022-07-18 /pmc/articles/PMC9289937/ /pubmed/35849279 http://dx.doi.org/10.1186/s43141-022-00375-8 Text en © The Author(s) 2022 https://creativecommons.org/licenses/by/4.0/ Open AccessThis 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 Research
Mohan, Sellappan
Dharani, Jayagopal
Natarajan, Ramanathan
Nagarajan, Arumugam
Molecular docking and identification of G-protein-coupled receptor 120 (GPR120) agonists as SARS COVID-19 MPro inhibitors
title Molecular docking and identification of G-protein-coupled receptor 120 (GPR120) agonists as SARS COVID-19 MPro inhibitors
title_full Molecular docking and identification of G-protein-coupled receptor 120 (GPR120) agonists as SARS COVID-19 MPro inhibitors
title_fullStr Molecular docking and identification of G-protein-coupled receptor 120 (GPR120) agonists as SARS COVID-19 MPro inhibitors
title_full_unstemmed Molecular docking and identification of G-protein-coupled receptor 120 (GPR120) agonists as SARS COVID-19 MPro inhibitors
title_short Molecular docking and identification of G-protein-coupled receptor 120 (GPR120) agonists as SARS COVID-19 MPro inhibitors
title_sort molecular docking and identification of g-protein-coupled receptor 120 (gpr120) agonists as sars covid-19 mpro inhibitors
topic Research
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9289937/
https://www.ncbi.nlm.nih.gov/pubmed/35849279
http://dx.doi.org/10.1186/s43141-022-00375-8
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