Molecular Docking Study of the Potential Relevance of the Natural Compounds Isoflavone and Myricetin to COVID-19

Priyandoko, Didik and Widowati, Wahyu and Subangkit, Mawar and Jasaputra, Diana Krisanti and Wargasetia, Teresa Liliana and Sholihah, Ika Adhani and Aviani, Jenifer Kiem (2021) Molecular Docking Study of the Potential Relevance of the Natural Compounds Isoflavone and Myricetin to COVID-19. International Journal of Bioautomation, 25 (3). pp. 271-282.

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Abstract

The 2019 novel coronavirus (2019-nCoV) or severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has spread rapidly from its origin in Wuhan City, Hubei Province, China, to the rest of the world. The efficacy of herbal treatment in the control of contagious disease was demonstrated during the 2003 outbreak of severe acute respiratory syndrome (SARS). Natural compound used for this study were isoflavone and myricetin. Molecular docking was performed to analyze binding mode of the compounds towards 12 proteins related to COVID-19. The prediction shows that isoflavone and myricetin have moderate probability of antiviral activity. All of the docked compounds occupied the active sites of the proteins related to COVID-19. Based on QSAR and molecular docking, interactions were predicted with 10 out of 12 potential COVID-19 proteins for myricetin and with 9 out of 12 proteins interactions for isoflavone. A potential disease alleviating action is suggested for isoflavone and myricetin in the context of COVID-19 infection.

Item Type: Article
Uncontrolled Keywords: SARS-CoV-2, Isoflavone, Myricitrin, Docking, QSAR.
Subjects: R Medicine > R Medicine (General)
Depositing User: Perpustakaan Maranatha
Date Deposited: 24 Mar 2022 07:22
Last Modified: 04 Feb 2023 01:41
URI: http://repository.maranatha.edu/id/eprint/30180

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