Inhibition of Main Protease of SARS-CoV-2 Using Brahmi Plant (Bacopa Monnieri) Compound by Computational Screening

Computational method is used to identify the natural inhibitor against the main protease of SARS-CoV-2. The SARS-CoV-2 virus is responsible for the production of two different proteases in the body. These proteases are referred to as the papain-like protease and the main protease, respectively. Thes...

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Bibliographic Details
Published in2022 International Conference on Recent Progresses in Science, Engineering and Technology (ICRPSET) pp. 1 - 4
Main Authors Islam, Md. Ashadul, Asaduzzaman, Md, Hossain, Md. Firoz, Alam, Mohammad Taufiq
Format Conference Proceeding
LanguageEnglish
Published IEEE 26.12.2022
Subjects
ADMET
Brahmi Plant compounds
computational Screening
Computer viruses
COVID-19
Drugs
Inhibitors
Main protease
Production
Proteins
SARS-CoV-2
Toxicology
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Summary:Computational method is used to identify the natural inhibitor against the main protease of SARS-CoV-2. The SARS-CoV-2 virus is responsible for the production of two different proteases in the body. These proteases are referred to as the papain-like protease and the main protease, respectively. These proteases are necessary for the virus to replicate and are the primary focus of drug development programs that are currently being carried out for the treatment of COVID-19. To inhibit the main protease of SARS-CoV-2 Brahmi plant is used as a phytochemical plant. One of the ligands in the Brahmi plant, apiginin-7-o-glucuronide inhibits the main protease that is responsible for the spread of SARS-CoV-2. The binding free energy of apiginin-7-o-glucuronide to the SARS-Cov-2 main proteas is -8.6kj/mol. Finally, this study could provide a foundation for further wet lab experimentation that may lead to the discovery of a new medication for SARS-CoV-2.
DOI:10.1109/ICRPSET57982.2022.10188556