{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,25]],"date-time":"2026-08-25T23:24:37Z","timestamp":1787700277302,"version":"build-2784847793"},"reference-count":52,"publisher":"Georg Thieme Verlag KG","issue":"08","funder":[{"DOI":"10.13039\/501100010892","name":"Department of Science and Technology","doi-asserted-by":"crossref","id":[{"id":"10.13039\/501100010892","id-type":"DOI","asserted-by":"crossref"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Drug Res (Stuttg)"],"published-print":{"date-parts":[[2021,10]]},"abstract":"<jats:title>Abstract<\/jats:title><jats:p>\n          Background Replication of SARS-CoV-2 depends on viral RNA-dependent\n                    RNA-polymerase (RdRp). Remdesivir, the broad-spectrum RdRp inhibitor acts as\n                    nucleoside-analogues (NAs). Remdesivir has initially been repurposed as a\n                    promising drug against SARS-CoV-2 infection with some health hazards like liver\n                    damage, allergic reaction, low blood-pressure, and breathing-shortness,\n                    throat-swelling. In comparison, theaflavin-3\u2019-O-gallate (TFMG),\n                    the abundant black tea component has gained importance in controlling viral\n                    infection. TFMG is a non-toxic, non-invasive, antioxidant, anticancer and\n                    antiviral molecule.<\/jats:p><jats:p>\n          Results Here, we analyzed the inhibitory effect of\n                        theaflavin-3\u2019-O-gallate on SARS CoV-2 RdRp in comparison with\n                    remdesivir by molecular-docking study. TFMG has been shown more potent in terms\n                    of lower Atomic-Contact-Energy (ACE) and higher occupancy of surface area;\n                    \u2212393.97 Kcal\/mol and 771.90 respectively, favoured with lower\n                    desolvation-energy; \u22129.2\u2009Kcal\/mol. TFMG forms\n                    more rigid electrostatic and H-bond than remdesivir. TFMG showed strong affinity\n                    to RNA primer and template and RNA passage-site of RdRp.<\/jats:p><jats:p>\n          Conclusions TFMG can block the catalytic residue, NTP entry site, cation\n                    binding site, nsp7-nsp12 junction with binding energy of \u22126. 72\n                    Kcal\/mol with Ki value of 11.79, and interface domain with binding\n                    energy of \u22127.72 and \u22126.16 Kcal\/mol with Ki value of 2.21\n                    and 30.71 \u00b5M. And most importantly, TFMG shows\n                    antioxidant\/anti-inflammatory\/antiviral effect on human\n                    studies.<\/jats:p>","DOI":"10.1055\/a-1467-5828","type":"journal-article","created":{"date-parts":[[2021,9,13]],"date-time":"2021-09-13T22:57:25Z","timestamp":1631573845000},"page":"462-472","source":"Crossref","is-referenced-by-count":10,"title":["Theaflavin-3\u2019-O-gallate a Black-tea Constituent Blocked SARS\n                    CoV-2 RNA dependant RNA Polymerase Active-site with Better Docking Results than\n                    Remdesivir"],"prefix":"10.1055","volume":"71","author":[{"given":"Amrita","family":"Banerjee","sequence":"additional","affiliation":[{"name":"Department of Biochemistry and Biotechnology, Cell and Molecular\n                    Therapeutics Laboratory Oriental Institute of Science and Technology, Midnapore,\n                    India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mehak","family":"Kanwar","sequence":"additional","affiliation":[{"name":"Department of Biochemistry and Biotechnology, Cell and Molecular\n                    Therapeutics Laboratory Oriental Institute of Science and Technology, Midnapore,\n                    India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Smarajit","family":"Maiti","sequence":"additional","affiliation":[{"name":"Department of Biochemistry and Biotechnology, Cell and Molecular\n                    Therapeutics Laboratory Oriental Institute of Science and Technology, Midnapore,\n                    India"},{"name":"Founder and Secretary, Agricure Biotech Research Society, Epidemiology\n                    and Human Health Division, Midnapore, India"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"194","published-online":{"date-parts":[[2021,9,13]]},"reference":[{"key":"ref1","doi-asserted-by":"publisher","first-page":"363","DOI":"10.1038\/s41577-020-0311-8","article-title":"The trinity of COVID-19: immunity, inflammation and intervention","volume":"20","author":"M Z Tay","year":"2020","journal-title":"Nat Rev Immunol"},{"issue":"383","key":"ref2","doi-asserted-by":"publisher","first-page":"120","DOI":"10.1056\/NEJMoa2015432","article-title":"Pulmonary Vascular Endothelialitis, Thrombosis, and Angiogenesis in\n                    Covid-19","volume":"9","author":"M Ackermann","year":"2020","journal-title":"N Engl J Med"},{"key":"ref3","doi-asserted-by":"crossref","first-page":"1499","DOI":"10.1126\/science.abc1560","article-title":"Structural basis for inhibition of the RNA-dependent RNA polymerase from\n                    SARS-CoV-2 by remdesivir","volume":"368","author":"Yin Wanchao","year":"2020","journal-title":"Science"},{"key":"ref4","doi-asserted-by":"crossref","first-page":"645","DOI":"10.1007\/s40264-020-00952-1","article-title":"Remdesivir in Treatment of COVID-19: A Systematic Benefit-Risk Assessment","volume":"43","author":"M Davies","year":"2020","journal-title":"Drug Saf"},{"key":"ref5","doi-asserted-by":"crossref","first-page":"269","DOI":"10.1038\/s41422-020-0282-0","article-title":"Remdesivir and chloroquine effectively inhibit the recently emerged novel\n                    coronavirus (2019-nCoV) in vitro","volume":"30","author":"M Wang","year":"2020","journal-title":"Cell Res"},{"key":"ref6","first-page":"101647","volume":"35","author":"Y C Cao","year":"2020","journal-title":"Remdesivir for severe acute respiratory syndrome coronavirus 2\n                    causing COVID-19: An evaluation of the evidence.Travel Med Infect\n                    Dis"},{"key":"ref7","doi-asserted-by":"crossref","first-page":"104786","DOI":"10.1016\/j.antiviral.2020.104786","article-title":"Remdesivir, lopinavir, emetine, and homoharringtonine inhibit SARS-CoV-2\n                    replication in vitro","volume":"178","author":"K T Choy","year":"2020","journal-title":"Antiviral Res"},{"key":"ref9","first-page":"659","volume":"40","author":"SC J Jorgensen","year":"2020","journal-title":"Remdesivir: Review of Pharmacology, Pre-clinical Data, and Emerging\n                    Clinical Experience for COVID-19. 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through mitochondrial pathway and by inhibiting\n                    nuclear factor-kappaB and Akt activation in human cervical cancer cells","volume":"19","author":"M Singh","year":"2011","journal-title":"Oncol Res"},{"key":"ref24","doi-asserted-by":"publisher","first-page":"76","DOI":"10.3390\/v10020076","article-title":"RNA Dependent RNA Polymerses: Insights from Structure, Function and\n                    Evolution","volume":"10","author":"Sangita Venkataraman","year":"2018","journal-title":"Viruses"},{"key":"ref25","doi-asserted-by":"crossref","first-page":"141","DOI":"10.1016\/j.virusres.2004.11.004","article-title":"Incorporation fidelity of the viral RNA-dependent RNA polymerase: a kinetic,\n                    thermodynamic and structural perspective","volume":"107","author":"C Castro","year":"2005","journal-title":"Virus Res"},{"key":"ref26","doi-asserted-by":"crossref","first-page":"779","DOI":"10.1126\/science.abb7498","article-title":"Structure of the RNA-dependent RNA 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Schneidman-Duhovny","year":"2005","journal-title":"Nucleic Acids Res"},{"key":"ref30","doi-asserted-by":"publisher","first-page":"6785","DOI":"10.1074\/jbc.RA120.013679.","volume":"295","author":"CalvinJ Gordon","year":"2020","journal-title":"Remdesivir is a direct-acting antiviral that inhibits RNA-dependent\n                    RNA polymerase from severe acute respiratory syndrome coronavirus 2 with high\n                    potency"},{"key":"ref31","doi-asserted-by":"publisher","first-page":"e0198226","DOI":"10.1371\/journal.pone.0198226","article-title":"Theaflavins, polyphels of black tea, inhibit entry of hepatitis C virus in cell\n                    culture","volume":"13","author":"P Chowdhury","year":"2018","journal-title":"PLoS One"},{"key":"ref32","doi-asserted-by":"publisher","first-page":"443","DOI":"10.1038\/ja.2016.128","article-title":"Antiviral effect of theaflavins against caliciviruses","volume":"70","author":"M Ohba","year":"2017","journal-title":"J Antibiot (Tokyo)"},{"key":"ref33","doi-asserted-by":"publisher","first-page":"3806","DOI":"10.1128\/AAC.00659-13","article-title":"Theaflavin-3,3'-digallate and lactic acid combinations reduce herpes\n                    simplex virus infectivity","volume":"57","author":"C E Isaacs","year":"2013","journal-title":"Antimicrob Agents Chemother"},{"issue":"05","key":"ref34","doi-asserted-by":"publisher","first-page":"16","DOI":"10.1007\/s40203-017-0037-x","volume":"20","author":"Giuseppe Deganutti","year":"2017","journal-title":"Impact of protein-ligand solvation and desolvation on transition\n                    state thermodynamic properties of adenosine A 2A ligand binding kinetics In\n                    Silico Pharmacol"},{"key":"ref35","doi-asserted-by":"publisher","first-page":"1344521","DOI":"10.1080\/16546628.2017.1344521","article-title":"Research progress on theaflavins: efficacy, formation, and preparation","volume":"61","author":"Hua-Feng He","year":"2017","journal-title":"Food Nutr Res"},{"key":"ref36","doi-asserted-by":"publisher","first-page":"2248","DOI":"10.1093\/jn\/131.9.2248","article-title":"Theaflavins in black tea and catechins in green tea are equally effective\n                    antioxidants","volume":"131","author":"L K Leung","year":"2001","journal-title":"J Nutr"},{"key":"ref37","doi-asserted-by":"crossref","first-page":"189","DOI":"10.1016\/S0308-8146(03)00062-1","article-title":"Stability of tea thea-flavins and catechins","volume":"83","author":"Y L Su","year":"2003","journal-title":"Food Chem"},{"key":"ref38","doi-asserted-by":"crossref","first-page":"64","DOI":"10.1080\/00021369.1964.10858200","article-title":"Studies on the mechanism of the oxidation of tea leaf catechins. Part III.\n                    Formation of a reddish orange pigment and its spectral relationship to some\n                    benzotropolone derivatives","volume":"28","author":"Y Takino","year":"1964","journal-title":"Agric Biol Chem"},{"key":"ref39","doi-asserted-by":"crossref","first-page":"4019","DOI":"10.1016\/S0040-4039(01)99608-X","article-title":"The structure of theaflavin, a polyphenol of black tea","author":"Y Takino","year":"1965","journal-title":"Tetrahedron Lett"},{"key":"ref40","doi-asserted-by":"crossref","first-page":"1365","DOI":"10.1039\/b003510f","article-title":"Kouno I. 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interaction of\n                    (-)-epigallocatechin gallate with serum albumin","volume":"62","author":"M Li","year":"2014","journal-title":"J Agric Food Chem"},{"key":"ref44","doi-asserted-by":"publisher","first-page":"3780","DOI":"10.1021\/jf2006547","article-title":"Molecular binding of black tea theaflavins to biological membranes: relationship\n                    to bioactivities","volume":"59","author":"T W Sirk","year":"2011","journal-title":"J Agric Food Chem"},{"key":"ref45","doi-asserted-by":"publisher","first-page":"222","DOI":"10.1038\/s41467-019-13940-6","article-title":"Comparative therapeutic efficacy of remdesivir and combination lopinavir,\n                    ritonavir, and interferon beta against MERS-CoV","volume":"11","author":"T P Sheahan","year":"2020","journal-title":"Nat Commun"},{"key":"ref46","doi-asserted-by":"publisher","first-page":"104793","DOI":"10.1016\/j.antiviral.2020.104793","article-title":"Remdesivir and SARS-CoV-2: Structural requirements at 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Acharyya","year":"2015","journal-title":"Environ Toxicol"},{"key":"ref52","doi-asserted-by":"publisher","DOI":"10.1016\/j.yclnex.2018.12.004","author":"S Maiti","year":"2019","journal-title":"Flavonoids green tea against oxidant stress and inflammation with\n                    related human diseases"},{"key":"ref53","doi-asserted-by":"publisher","first-page":"8","DOI":"10.1007\/s12011-020-02044-8","article-title":"Neurotoxic Mechanism of Arsenic: Synergistic Effect of Mitochondrial\n                    Instability, Oxidative Stress, and Hormonal-Neurotransmitter Impairment","volume":"198","author":"N Medda","year":"2020","journal-title":"Biol Trace Elem Res"}],"container-title":["Drug 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