Target and inhibitors for sars-cov-2 with its treatment opportunities: A theoretical study

Srivastava, Ankit K, Gupta, Tarun, Kaushal, Ashish Kumar, Dhiraj, Kumar, M S, Girish and Saxena, Swasti (2023) Target and inhibitors for sars-cov-2 with its treatment opportunities: A theoretical study. European Chemical Bulletin, 12 (05). pp. 4219-4234. ISSN 2063-5346

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Abstract

The SARS-CoV-2 coronavirus is a new coronavirus that has sparked a worldwide pandemic with high rates of morbidity and mortality. The virus's rapid spread has highlighted the urgent need for potent treatments to stop COVID-19. A thorough analysis of these in silico methodologies is necessary to comprehend drug development for COVID-19 since computational methods have been essential in finding possible therapeutic targets and inhibitors for SARS-CoV-2. This article offers a thorough summary of the in-silico methods used to find prospective SARS-CoV-2 therapeutic targets and inhibitors. First, we discuss the mechanisms by which SARS-CoV-2 penetrates human cells as well as potential targets and receptors for the virus. The FDAapproved inhibitors and additional possible inhibitors that have been found through in silico investigations are then briefly discussed. Hydroxychloroquine, Remdesivir, Ribavirin, Tocilizumab, Galidesivir, Sofosbuvir, and Tenofovir are only a few of the inhibitors in this group. We also discuss the computational methods that have been applied to identify potential targets and inhibitors, including molecular dynamics simulations, virtual screening, docking investigations, and QSAR modelling. The findings of several in silico research on putative SARS-CoV-2 drugs and targets are also included in this study. This research includes analyses of the RNA-dependent RNA polymerase (RdRp), the spike glycoprotein (S), and proteases including the Mpro and 3-chymotrypsin-like protease. The results of several computational techniques used to research possible inhibitors, such as Hydroxychloroquine and Remdesivir, are also presented. Our analysis highlights the crucial part that computational techniques play in the hunt for SARS-CoV-2 drugs and offers suggestions for further study in this area. We also talk about the drawbacks of computational research and the requirement for further experimental verification of in silico findings. Overall, this evaluation is a crucial tool for scientists looking to develop COVID-19 treatments and find new drugs.

Item Type: Article
Keywords: Therapeutic Targets | SARS-Cov-2 | Silico Studies
Subjects: Physical, Life and Health Sciences > Chemistry
JGU School/Centre: Jindal Global Business School
Depositing User: Amees Mohammad
Date Deposited: 06 Jun 2023 07:01
Last Modified: 06 Jun 2023 07:01
Official URL: https://www.eurchembull.com/uploads/paper/01194f1e...
URI: https://pure.jgu.edu.in/id/eprint/6107

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