In-Silico Analysis of Phytochemicals as Potential Inhibitors of SARS-CoV-2 NSP-12
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2024,
Vol. 11 No. 01 > In-Silico Analysis of Phytochemicals as Potential Inhibitors of SARS-CoV-2 NSP-12
Published: October 20, 2024
Authors
Shallu Saini, Poonam Bansal, Gurpreet Kaur Bhatia and Hardeep Singh Tuli
Keywords
COVID-19, Insilico, Docking, Dibutyl phthalate, Betulin, Stigmasterol
Abstract
Background: The coronavirus disease-19 (COVID-19) caused by the severe acute respiratory syndrome coronavirus 2 (SARS- CoV-2), has a huge global impact.
Purpose: The only known preventive measures or therapies for COVID-19 at this time are physical segregation and aerial barriers between individuals. Researchers in the academic and industrial sectors are currently in urgent need of COVID-19 remedies, including vaccines to stop the virus’s spread. Even if the widespread vaccination campaign has helped to limit the rate of death, the spread of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) continues three and a half years after the pandemic began and the anticipated endemic transition. After the health emergency state was declared to be over, we are seeing a global loosening of preventive measures, a return to pre-pandemic mobility patterns, and an ever more coerced coexistence with the virus.
Methods: In the present study, the ability of SARS-CoV-2 proteins to bind natural substances, which is essential for host cell interaction and infection was examined. Using in silico tools and techniques, the docking analysis of Dibutyl phthalate, Betulin and Stigmasterol against SARS-CoV-2 non-structural protein-12 (NSP-12) was done.
Results: It was observed that stigmasterol had the highest binding affinity (-8.1 kcal/mol) for NSP-12 protein of SARS- CoV-2 followed by betulin (-6.9 kcal/mol) and DIBP (Dibutyl Phthalate) had the lowest affinity (-6.3 kcal/mol).
Conclusion: Based on current research, it was suggested that stigmasterol is a potential phytochemical to be tests against NSP-12 protein of SARS CoV-2 and can be used as antivirus drug.
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How to Cite
Shallu Saini, Poonam Bansal, Gurpreet Kaur Bhatia and Hardeep Singh Tuli. In-Silico Analysis of Phytochemicals as Potential Inhibitors of SARS-CoV-2 NSP-12.
J. Multidiscip. Res. Healthcare. 2024, 11, 1-8
