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• W4295865404 abstract "Abstract The global pandemic of COVID-19 caused by SARS-CoV-2 (also known as 2019-nCoV and HCoV-19) has affected many countries worldwide. Emerging strains of SARS-CoV-2 exhibit dynamic genomic and structural patterns gradually, where the development of a suitable vaccine has become more challenging. Identification of novel compounds that control the viral replication and viral prophylaxis mechanism would be a potential option to stop the spread of infection. Tea, a common beverage in Asia, possessing an abundance of anti-oxidative properties, is used commonly in households. Polyphenols from tea are known to be beneficial in several functional aspects of health. In the present study, using high throughput computational integrative approaches, we understand the application of lead polyphenols from tea against five known viral targets of SARS-CoV-2. From the phylogenetic analysis of the viral targets, whole-genome sequences of SARS-CoV-2 shared the highest nucleotide similarity (> 90%) with 8 other beta SARS viruses, including SARS-CoV-2 recent strains, SARS-CoV and MERS-CoV. The ADMET evaluation of the tea compounds showed favorable drug-likeness, and pharmacokinetics properties, with less toxicity profiles. Finally, the molecular docking indicated grazoprevir may represent as a potential treatment option, and strictinin, epigallocatechin 3,3',-di-o-gallate, epicatechin 3,5-di-o-gallate, gallocatechin 3'-o-gallate, epitheaflagallin, theaflavin-3-gallate, epitheaflagallin 3-o-gallate, rutin and tannic acid could potentially inhibiting to the SARS-CoV-2 targets by possessing significant binding affinities (− 12.6 to − 5.1 kcal/mol). Thus, these potent tea compounds effectively interrupt the viral replication cycle and may reduce or eradicate the expeditious outspreading of SARS-CoV-2." @default.
• W4295865404 created "2022-09-15" @default.
• W4295865404 creator A5018675241 @default.
• W4295865404 creator A5023833689 @default.
• W4295865404 date "2022-09-08" @default.
• W4295865404 modified "2023-09-28" @default.
• W4295865404 title "Investigation of potential tea polyphenols against SARS-CoV-2 targets: A Computational approach" @default.
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• W4295865404 doi "https://doi.org/10.21203/rs.3.rs-2030941/v1" @default.
• W4295865404 hasPublicationYear "2022" @default.
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