MOLECULAR DOCKING STUDY OF NATURALLY OCCURRING COMPOUNDS AS INHIBITORS OF COVID -19

SREEDEVI A; MALAR RETNA A; ROBIN KUMAR SAMUEL

doi:10.22159/ajpcr.2022.v15i1.43121

Authors

SREEDEVI A Department of Chemistry and Research Centre, Scott Christian College (Autonomous), Nagercoil, Tamil Nadu, India
MALAR RETNA A Department of Chemistry and Research Centre, Scott Christian College (Autonomous), Nagercoil, Tamil Nadu, India
ROBIN KUMAR SAMUEL Department of Mechanical Engineering, Ponjesly College of Engineering, Nagercoil, Tamil Nadu, India

DOI:

https://doi.org/10.22159/ajpcr.2022.v15i1.43121

Keywords:

COVID-19, Bioactive compound, Cupressuflavone, Binding energy

Abstract

Objectives: The worldwide spread of COVID-19 is an emergent issue to be tackled. Currently, several works in various field have been made in rather short period. The present study aimed to assess bioactive compounds found in medicinal plants as potential COVID-19 M^proinhibitors using molecular docking study.

Methods: The docking analyses were performed by using Autodock, Discovery Studio Visualiser and Igemdock.

Results: The binding energy obtained from the docking of 6LU7 with native ligand cupressuflavone is -8.9 kcal/mol.

Conclusion: These findings will provide the opportunities to identify the right drug to combat COVID-19.

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