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A perspective on potential target proteins of COVID-19: Comparison with SARS-CoV for designing new small molecules

SARS-CoV-2 (COVID-19) epidemic has created an unprecedented medical and economic crisis all over the world. SARS-CoV-2 is found to have more contagious character as compared to MERS-CoV and is spreading in a very fast manner all around the globe. It has affected over 31 million people all over the w...

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Autores principales: Kumar, Devendra, Chauhan, Gaurav, Kalra, Sourav, Kumar, Bhupinder, Gill, Manjinder Singh
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier Inc. 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7524440/
https://www.ncbi.nlm.nih.gov/pubmed/33142431
http://dx.doi.org/10.1016/j.bioorg.2020.104326
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author Kumar, Devendra
Chauhan, Gaurav
Kalra, Sourav
Kumar, Bhupinder
Gill, Manjinder Singh
author_facet Kumar, Devendra
Chauhan, Gaurav
Kalra, Sourav
Kumar, Bhupinder
Gill, Manjinder Singh
author_sort Kumar, Devendra
collection PubMed
description SARS-CoV-2 (COVID-19) epidemic has created an unprecedented medical and economic crisis all over the world. SARS-CoV-2 is found to have more contagious character as compared to MERS-CoV and is spreading in a very fast manner all around the globe. It has affected over 31 million people all over the world till date. This virus shares around 80% of genome similarity with SARS-CoV. In this perspective, we have explored three major targets namely; SARS-CoV-2 spike (S) protein, RNA dependent RNA polymerase, and 3CL or M(pro) Protease for the inhibition of SARS-CoV-2. These targets have attracted attention of the medicinal chemists working on computer-aided drug design in developing new small molecules that might inhibit these targets for combating COVID-19 disease. Moreover, we have compared the similarity of these target proteins with earlier reported coronavirus (SARS-CoV). We have observed that both the coronaviruses share around 80% similarity in their amino acid sequence. The key amino acid interactions which can play a crucial role in designing new small molecule inhibitors against COVID-19 have been reported in this perspective. Authors believe that this study will help the medicinal chemists to understand the key amino acids essential for interactions at the active site of target proteins in SARS-CoV-2, based on their similarity with earlier reported viruses. In this review, we have also described the lead molecules under various clinical trials for their efficacy against COVID-19.
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spelling pubmed-75244402020-09-30 A perspective on potential target proteins of COVID-19: Comparison with SARS-CoV for designing new small molecules Kumar, Devendra Chauhan, Gaurav Kalra, Sourav Kumar, Bhupinder Gill, Manjinder Singh Bioorg Chem Article SARS-CoV-2 (COVID-19) epidemic has created an unprecedented medical and economic crisis all over the world. SARS-CoV-2 is found to have more contagious character as compared to MERS-CoV and is spreading in a very fast manner all around the globe. It has affected over 31 million people all over the world till date. This virus shares around 80% of genome similarity with SARS-CoV. In this perspective, we have explored three major targets namely; SARS-CoV-2 spike (S) protein, RNA dependent RNA polymerase, and 3CL or M(pro) Protease for the inhibition of SARS-CoV-2. These targets have attracted attention of the medicinal chemists working on computer-aided drug design in developing new small molecules that might inhibit these targets for combating COVID-19 disease. Moreover, we have compared the similarity of these target proteins with earlier reported coronavirus (SARS-CoV). We have observed that both the coronaviruses share around 80% similarity in their amino acid sequence. The key amino acid interactions which can play a crucial role in designing new small molecule inhibitors against COVID-19 have been reported in this perspective. Authors believe that this study will help the medicinal chemists to understand the key amino acids essential for interactions at the active site of target proteins in SARS-CoV-2, based on their similarity with earlier reported viruses. In this review, we have also described the lead molecules under various clinical trials for their efficacy against COVID-19. Elsevier Inc. 2020-11 2020-09-29 /pmc/articles/PMC7524440/ /pubmed/33142431 http://dx.doi.org/10.1016/j.bioorg.2020.104326 Text en © 2020 Elsevier Inc. All rights reserved. Since January 2020 Elsevier has created a COVID-19 resource centre with free information in English and Mandarin on the novel coronavirus COVID-19. The COVID-19 resource centre is hosted on Elsevier Connect, the company's public news and information website. Elsevier hereby grants permission to make all its COVID-19-related research that is available on the COVID-19 resource centre - including this research content - immediately available in PubMed Central and other publicly funded repositories, such as the WHO COVID database with rights for unrestricted research re-use and analyses in any form or by any means with acknowledgement of the original source. These permissions are granted for free by Elsevier for as long as the COVID-19 resource centre remains active.
spellingShingle Article
Kumar, Devendra
Chauhan, Gaurav
Kalra, Sourav
Kumar, Bhupinder
Gill, Manjinder Singh
A perspective on potential target proteins of COVID-19: Comparison with SARS-CoV for designing new small molecules
title A perspective on potential target proteins of COVID-19: Comparison with SARS-CoV for designing new small molecules
title_full A perspective on potential target proteins of COVID-19: Comparison with SARS-CoV for designing new small molecules
title_fullStr A perspective on potential target proteins of COVID-19: Comparison with SARS-CoV for designing new small molecules
title_full_unstemmed A perspective on potential target proteins of COVID-19: Comparison with SARS-CoV for designing new small molecules
title_short A perspective on potential target proteins of COVID-19: Comparison with SARS-CoV for designing new small molecules
title_sort perspective on potential target proteins of covid-19: comparison with sars-cov for designing new small molecules
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7524440/
https://www.ncbi.nlm.nih.gov/pubmed/33142431
http://dx.doi.org/10.1016/j.bioorg.2020.104326
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