Journal of Stress Physiology & Biochemistry, Vol. 21 No. 3 2025, pp. 114-127 ISSN 1997-0838
Original Text Copyright (cc) 2025  by  Velayutham, Chidambaram, Hariharan, Karumalaiyan and Periyanayagam



ORIGINAL ARTICLE
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Natural antiviral flavonoids: Striking successful repurposing against COVID-19 through in-silico docking

Velayutham Gurunathan1, Chidambaram Sathishkumar2, Hariharan Govindasamy3*, Karumalaiyan Palanisamy4, Periyanayagam Arockia Doss5

1 Research Department of Chemistry, Bishop Heber College (Autonomous), (Affiliated to Bharathidasan University), Tiruchirappalli-620017, Tamil Nadu, India.
2 Nextgen Academic Research, Perambalur-621107, Tamil Nadu- India.
3 Research Associate, School of Sciences, Bharata Mata College (Autonomous), Thrikkakara-682021, Kochi, Kerala, India.
4 Research Department of Chemistry, School of Science and Humanities, Dhanalakshmi Srinivasan University, Perambalur-621 212, Tamil Nadu, India.
5 Department of Chemistry, St. Joseph's College (Autonomous), Tiruchirappalli 620002, Tamil Nadu, India.


*E-Mail:  haribiochemistry@gmail.com


Received February 23, 2025


Repurpose of recognized compounds and medications as anti-COVID 2019 (anti-CoVID-19) agents, in anti-SARS-CoV-2 operation, via biological re-assessment of their activities, is a recent and durable development for pandemic COVID-19 novel drugs in 2020. Even so, nearly all of the recorded inhibitors of the various phases of SARS-CoV-2 progression lacks severe forces towards main fateful SARS-CoV-2 enzymes (like the papain protease "PLpro", main protease "Mpro", and RNA-based RNA polymerase "RdRp"). The main objective of this article is to estimate and classify natural antiviral flavonoids as inhibitor medicines like Quercetin, Quercetagetin, Volkensiflavone, Ternatin, Meliternatin, Formononetin, Afromosin, Chrysosplenol B, Chrysosplenol C and Axillarin for COVID-19 main protease and compared with antiviral medication Remdesivir. In-silico docking studies devours natural flavonoid derivative Volkensiflavone was of exceptional inhibition ability (Binding energy-8.9, -9.0 kcal/mol) of 5N5O and 6LU7 enzyme, relative to the other compounds and Remdesivir antiviral medication (Binding energy -7.4 and -7.7 Kcal/mol). The need for the most time is the prompt discovery and commitment of appropriate medication to tackle and convince the global COVID-19 crisis. Besides, timely in vivo experiments takes place to approve inhibition efficacy of anti-SARS-CoV-2 compounds might save people are warranted.

Key words:    Antiviral, ADME, COVID-19, Remdesivir, Volkensiflavone, Molecular docking

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