TY  - JOUR
AU  - Palanisamy, Karumalaiyan
AU  - Sabarison, Pandiyarajan
AU  - Gurunathan, Velayutham
AU  - Hariharan, Govindasamy
AU  - Chuang, Ho-Chiao
AU  - Huang, Sheng-Tung
T1  - Aiming COVID-19 SARS-cov-2 proteins by natural antiviral flavonoids through in-silico drug repurposing
JO  - Journal of Stress Physiology & Biochemistry
Y1  - 2025/december
VL  - 21
IS  - 4
SP  - 58
EP  - 71
UR  - http://www.jspb.ru/issues/2025/N4/JSPB_2025_4_58-71.pdf
KW  - Anti-viral
KW  - ADME
KW  - COVID-19
KW  - Justicidin B
KW  - Luteolin–7-O-glucoside
KW  - Molecular docking
U1  - 1997-0838
N2  - The World Health Organisation (WHO) has proclaimed the quickly spreading, extremely infectious, and pathogenic SARS-CoV-2 (SARS-Coronavirus 2) linked COVID-19 (Coronavirus disease 2019) a pandemic. SARS-CoV-2 conquers host cell by connecting glycoprotein (S-protein) spike viral surface with ACE2 (cellular angiotensin converting enzyme 2). That necessary virus molecular association through host cell provides clear beneficial goal on behalf of discovering SARS-CoV-2 antiviral medications. These medications recycling will offer fast and possible therapy to extend COVID-19 exponentially. The present study is to estimate and classify natural antiviral analogues as repurposing medicines like 4',5-Dihydroxy,3,3',7-trimethoxyflavone, 3,3'-Dimethoxyquercetin, Fisetin, O-Glucosyl-7-methyl-5-genistein, Glycosil-7-O-luteolin, Hesperetin, Isoquercitrin, Justicidin B, Luteolin–7-O-glucoside and Morin for COVID-19 main protease and compared with antiviral medication Remdesivir. Molecular docking studies have shown that Luteolin–7-O-glucoside and Justicidin B were natural flavonoid derivative of exceptional inhibition ability through binding energy of -9.5,-9.4 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 were needed to approve the inhibition efficacy of the anti-SARS-CoV-2 compounds.
ER  -