| ORIGINAL ARTICLE |
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| Year : 2020 | Volume
: 9
| Issue : 5 | Page : 43-50 |
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Activity of phytochemical constituents of black pepper, ginger, and garlic against coronavirus (COVID-19): An in silico approach
Kalirajan Rajagopal, Gowramma Byran, Srikanth Jupudi, R Vadivelan
Department of Pharmaceutical Chemistry, JSS College of Pharmacy, (A Constituent College of JSS Academy of Higher Education and Research - Deemed University), Ooty, Nilgiris, Tamil Nadu, India
Correspondence Address:
Dr. Kalirajan Rajagopal
Department of Pharmaceutical Chemistry, JSS College of Pharmacy, (A Constituent College of JSS Academy of Higher Education and Research - Deemed University), Ooty - 643 001, Nilgiris, Tamil Nadu
India
 Source of Support: None, Conflict of Interest: None  | Check |
DOI: 10.4103/ijhas.IJHAS_55_20
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BACKGROUND: In early 2020, many scientists are rushing to discover novel drugs and vaccines against the coronavirus, and treatments for coronavirus disease 2019 (COVID-19), because, the disease which was named as COVID-19, a life-threatening viral disease affected first in china and quickly spread throughout the world.
OBJECTIVE: In the present article, in silico studies have been performed to explore the binding modes of chemical constituents for natural remedies such as pepper, ginger, and garlic against COVID-19 (PDB id-5R82) targeting coronavirus using Schrodinger suit 2019-4.
METHODS: The docking studies are performed by Glide module, in silico ADMET screening was performed by qik prop module and binding energy of ligands was calculated using Prime Molecular Mechanics-Generalized Born Surface Area module.
RESULTS: From the results, the chemical constituents from pepper like Piperdardiine, Piperanine and from ginger like 8-Gingerol, 10-Gingerol, significantly active against COVID-19 with significant Glide score when compared to currently used drug Hydroxychloroquine (-5.47). The docking results of the compounds exhibited similar mode of interactions with COVID-19, and the residues SER46, MET49, HIE41, GLN189, ARG189, ASP187, MET165, HIE164, THR24, THR25, LEU27, ASN142, and GLY143 play a crucial role in binding with ligands.
CONCLUSION: The chemical constituents from pepper such as Piperdardiine, Piperanine, and from ginger like 8-Gingerol, 10-Gingerol are significantly active against COVID-19 which are useful for further development.
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