Anna Yuliana*, Saeful Amin, Ira Rahmiyani and Meita Dea Ristiani

Faculty of Pharmacy, Bakti Tunas Husada University

*Corresponding Author: Anna Yuliana, Faculty of Pharmacy, Bakti Tunas Husada University.

Received: February 24, 2022; Published: March 23, 2022

Abstract

Background: SARS-CoV-2 virus infection at this time has attacked various countries and becomes a threat that needs to be watched out for, the search for preventive treatment continues to be carried out to significantly prevent it. Antibodies against spikes that neutralize viral infections have potential as a therapy. Purpose of this study was to identify myricetin and quercetin, which were thought to have acted as immunomodulators for prevent SARS-CoV-2 using in silico study.

Material and Methods: Samples of 3D structure compounds from PubChem with the 3D structure of Fab-Antibody protein were docked using AutoDockTools and SwissDock and then validated by performing Molecular Dynamic. The final conformational results were then visualized using the Biovia Discovery studio, analyzed the effectiveness of the docking program, pharmacokinetics, toxicity, and dynamic programming using the Ramachandran plot.

Result: Significant results were obtained where quercetin had good activity at the 7JMO receptor with AutoDockTools and SwissDock where the binding affinity was -7.36 and -8.14. as well as the test compound myricetin, had a significant result having the best activity at the 7KZA receptor with a binding affinity value of -7.36 on AutoDockTools and -8.22 on SwissDock. And validated with the results of Molecular Dynamic having stable binding to the 7KZA receptor on the two test compounds.

Conclusion: From the data presented, it can be concluded that myricetin and quercetin have the potential activity as immunomodulators candidate for prevent SARS-CoV-2.

Keywords: Quercetin; Myricetin; SARS-CoV-2; Immunomodulator; In Silico

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Citation

Citation: Anna Yuliana., et al. “In Silico Study of Myricetin and Quercetin as Immunomodulator Candidates for Prevent SARS-CoV-2". Acta Scientific Microbiology 5.4 (2022): 125-133.

Copyright

Copyright: © 2022 Anna Yuliana., et al. This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.