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Abstract

IDENTIFYING POTENTIAL OF NATURAL COMPOUNDS AGAINST SARS-COV-2 PROTEASES: AN IN SILICO APPROACH

Vishal Mathur*, Lokendra Singh Rathor and Riya Sharma

Abstract

Objective: This study executes In Silico study of phytomolecules of several classes (like flavonoid, alkaloid and terpenoid etc.). Some of these compounds are used to treat viral and respiratory diseases. Hence, these compounds could be used to treat SARS-CoV-2. Method: Autodock4.2 was used for docking of the phytomolecules against SARS-CoV-2 proteases (TMPRSS & ACE2). For prediction of the pharmacokinetic properties several online tools were used like pkCSM and Swiss ADME. Results: Total number of phytomolecules were docked against both proteases among which only showed highest binding affinity towards both the proteases. After docking of the phytomolecules, all the compounds were run under web tool to ensure that the phytomolecules are free from hepatoxicity and carcinogenicity.

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