{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,28]],"date-time":"2026-04-28T04:38:08Z","timestamp":1777351088656,"version":"3.51.4"},"reference-count":36,"publisher":"Wiley","issue":"1","license":[{"start":{"date-parts":[[2020,8,7]],"date-time":"2020-08-07T00:00:00Z","timestamp":1596758400000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"funder":[{"name":"Partially by WB State DST","award":["05\/2016"],"award-info":[{"award-number":["05\/2016"]}]}],"content-domain":{"domain":["analyticalsciencejournals.onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Drug Development Research"],"published-print":{"date-parts":[[2021,2]]},"abstract":"<jats:title>Abstract<\/jats:title><jats:p>SARS\u2010CoV\u20102 or COVID\u201019 pandemic global outbreak created the most unstable situation of human health\u2013economy. In the past two decades different parts of the word experienced smaller or bigger outbreak related to human coronaviruses. The spike glycoproteins of the COVID\u201019 (similar to SARS\u2010CoV) attach to the angiotensin\u2010converting enzyme (ACE2) and transit over a stabilized open state for the viral internalization to the host cells and propagate with great efficacy. Higher rate of mutability makes this virus unpredictable\/less sensitive to the protein\/nucleic acid based drugs. In this emergent situation, drug\u2010induced destabilization of spike binding to RBD could be a good strategy. In the current study we demonstrated by bioinformatics (CASTp: computed atlas of surface topography of protein, PyMol: molecular visualization) and molecular docking (PatchDock and Autodock) experiments that tea flavonoids catechin products mainly epigallocatechin gallate or other like theaflavin gallate demonstrated higher atomic contact energy (ACE) value, binding energy, Ki value, ligand efficiency, surface area and more amino acid interactions than hydroxychloroquine (HCQ) during binding in the central channel of the spike protein. Moreover, out of three distinct binding sites (I, II and III) of spike core when HCQ binds only with site III (farthest from the nCoV\u2010RBD of ACE2 contact), epigallocatechin gallate and theaflavin gallate bind all three sites. As sites I and II are in closer contact with open state location and viral\u2013host contact area, these drugs might have significant effects. Taking into account the toxicity\/side effects by chloroquine\/HCQ, present drugs may be important. Our laboratory is working on tea flavonoids and other phytochemicals in the protection from toxicity, DNA\/mitochondrial damage, inflammation and so on. The present data might be helpful for further analysis of flavonoids in this emergent pandemic situation.<\/jats:p>","DOI":"10.1002\/ddr.21730","type":"journal-article","created":{"date-parts":[[2020,8,8]],"date-time":"2020-08-08T01:56:23Z","timestamp":1596851783000},"page":"86-96","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":48,"title":["Epigallocatechin gallate and theaflavin gallate interaction in <scp>SARS\u2010CoV<\/scp>\u20102 spike\u2010protein central channel with reference to the hydroxychloroquine interaction: Bioinformatics and molecular docking study"],"prefix":"10.1002","volume":"82","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-1354-1303","authenticated-orcid":false,"given":"Smarajit","family":"Maiti","sequence":"first","affiliation":[{"name":"Cell and Molecular Therapeutics Laboratory, Department of Biochemistry and Biotechnology Oriental Institute of Science and Technology  Midnapore India"},{"name":"Agricure Biotech Research Society Epidemiology and Human Health Division  Midnapore India"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Amrita","family":"Banerjee","sequence":"additional","affiliation":[{"name":"Cell and Molecular Therapeutics Laboratory, Department of Biochemistry and Biotechnology Oriental Institute of Science and Technology  Midnapore India"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"311","published-online":{"date-parts":[[2020,8,7]]},"reference":[{"key":"e_1_2_7_2_1","doi-asserted-by":"publisher","DOI":"10.1002\/tox.21977"},{"key":"e_1_2_7_3_1","doi-asserted-by":"publisher","DOI":"10.1080\/10590501.2014.967061"},{"key":"e_1_2_7_4_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ijantimicag.2020.105944"},{"key":"e_1_2_7_5_1","doi-asserted-by":"publisher","DOI":"10.1002\/hep.24803"},{"key":"e_1_2_7_6_1","doi-asserted-by":"publisher","DOI":"10.1002\/hep.24610"},{"key":"e_1_2_7_7_1","doi-asserted-by":"publisher","DOI":"10.1128\/JVI.00896-14"},{"key":"e_1_2_7_8_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ijantimicag.2020.105932"},{"key":"e_1_2_7_9_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.jcrc.2020.03.005"},{"key":"e_1_2_7_10_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.virol.2005.02.022"},{"key":"e_1_2_7_11_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.lfs.2020.117592"},{"key":"e_1_2_7_12_1","doi-asserted-by":"publisher","DOI":"10.3390\/molecules23071795"},{"key":"e_1_2_7_13_1","doi-asserted-by":"publisher","DOI":"10.5582\/bst.2020.01047"},{"key":"e_1_2_7_14_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ijantimicag.2020.105949"},{"key":"e_1_2_7_15_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.brainres.2006.09.057"},{"key":"e_1_2_7_16_1","doi-asserted-by":"publisher","DOI":"10.1039\/c2cc17295j"},{"key":"e_1_2_7_17_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.antiviral.2014.09.009"},{"key":"e_1_2_7_18_1","doi-asserted-by":"publisher","DOI":"10.1038\/d41586-020-00751-9"},{"key":"e_1_2_7_19_1","doi-asserted-by":"publisher","DOI":"10.3390\/molecules23102475"},{"key":"e_1_2_7_20_1","doi-asserted-by":"publisher","DOI":"10.3390\/v12020176"},{"key":"e_1_2_7_21_1","doi-asserted-by":"publisher","DOI":"10.3851\/IMP1774"},{"key":"e_1_2_7_22_1","doi-asserted-by":"publisher","DOI":"10.2174\/1871524917666170201145102"},{"key":"e_1_2_7_23_1","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21256"},{"key":"e_1_2_7_24_1","doi-asserted-by":"publisher","DOI":"10.1021\/bi00463a029"},{"key":"e_1_2_7_25_1","doi-asserted-by":"publisher","DOI":"10.1097\/MJT.0b013e3180a7206e"},{"key":"e_1_2_7_26_1","doi-asserted-by":"publisher","DOI":"10.1097\/MJT.0b013e3180a6f9c2"},{"issue":"1","key":"e_1_2_7_27_1","first-page":"e17","article-title":"Liver and kidney injuries in COVID\u201019 and their effects on drug therapy; 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