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Flavonoids as Potent Inhibitor of SARS-CoV-2 Nsp13 Helicase: Grid Based Docking Approach

Singh et al., Middle East Research Journal of Pharmaceutical Sciences, doi:10.36348/merjps.2023.v03i04.001
Aug 2023  
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In Silico analysis molecular docking analysis predicting that quercetin, rutin, isorhamnetin, and tamarixetin bind well with SARS-CoV-2 Nsp13 helicase enzyme. The proposed mechanism of action is that these flavonoids can inhibit the ATPase and helicase activities of Nsp13, which normally unwinds RNA helices in an ATP-dependent manner during viral replication. This study provides evidence that quercetin and other flavonoids may have potential as SARS-CoV-2 antiviral agents by targeting and inhibiting the key Nsp13 helicase enzyme.
Singh et al., 25 Aug 2023, peer-reviewed, 6 authors.
In Silico studies are an important part of preclinical research, however results may be very different in vivo.
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Flavonoids as Potent Inhibitor of SARS-CoV-2 Nsp13 Helicase: Grid Based Docking Approach
Shikha Singh, Jitender K Malik, G Pavan Kumar, Sunil Kumar, Gyan Singh, Vinay Siroliya
Middle East Research Journal of Pharmaceutical Sciences, doi:10.36348/merjps.2023.v03i04.001
The corona virus (COVID-19) is an enveloped RNA virus with diverse origins in both people and wildlife. It has been determined that six separate species are the cause of human disease. Viral infections have a significant impact on human disease, and one of the most recent worldwide epidemics is the emergence of the new corona. The SS-RNA virus from the enveloped corona virus family is what caused the potentially lethal SARS (Severe Acute Respiratory Syndrome) virus. In many countries throughout the world, sickness is spreading quickly. As of March 26, 2020, there has been 462,684 confirmed cases and 20,834 fatalities documented abroad. COVID-19 was deemed a pandemic by the World Health Organisation (WHO) on March 11, 2020. Numerous drug studies are now underway, and some of the results are positive. The only way to combat the virus, however, is through preventative measures as there is no vaccination. The goal of the current study was to use a molecular docking approach to evaluate flavonoids's potential against SAR-CoV-2 infection. Elucidation of the proposed mechanism of action of natural flavonoid (Quercetin, Isorhametin, Rutin and Tamaraxiten) against SAR-CoV-2 infection.
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