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In silico approach for identifying natural lead molecules against SARS-COV-2 by Shiv Shankar Gupta; Ashwani Kumar; Ravi Shankar; Upendra Sharma is a Biochemistry, Genetics and Molecular Biology article available to read on EtoBox.

What is In silico approach for identifying natural lead molecules against SARS-COV-2 about?

The life challenging COVID-19 disease caused by the SARS-CoV-2 virus has greatly impacted smooth survival worldwide since its discovery in December 2019. Currently, it is one of the major threats to humanity. Moreover, any specific drug or vaccine unavailability against COVID-19 forces to discover a new drug on an urgent basis. Viral cycle inhibition could be one possible way to prevent the further genesis of this viral disease, which can be contributed by drug repurposing techniques or screening of small bioactive natural molecules against already validated targets of COVID-19. The main protease (M) responsible for producing functional proteins from polyprotein is an important key step for SARS-CoV-2 virion replication. Natural product or herbal based formulations are an important platform for potential therapeutics and lead compounds in the drug discovery process. Therefore, here we have screened >53,500 bioactive natural molecules from six different natural product databases against M (PDB ID: 6LU7) of COVID-19 through computational study. Further, the top three molecules were subjected to pharmacokinetics evaluation, which is an important factor that reduces the drug failure ra

Who reads In silico approach for identifying natural lead molecules against SARS-COV-2?

Author

Shiv Shankar Gupta; Ashwani Kumar; Ravi Shankar; Upendra Sharma

Publisher

Elsevier BV

Published

2021

Language

EN

Field

Biochemistry, Genetics and Molecular Biology (Physical Sciences)