In silico study unfolds inhibitory potential of epicatechin gallate against SARS-CoV-2 entry and replication within the host cell  

作　　者：Prem Rajak Abhratanu Ganguly 

机构地区：[1]Department of Animal Science,Kazi Nazrul University,Asansol,West Bengal,India

出　　处：《Mechanobiology in Medicine》2023年第2期54-66,共13页力学生物学与医学（英文）

摘　　要：Coronavirus disease-19(COVID-19)is the ongoing pandemic affecting millions of people worldwide.Several vaccine candidates have been designed and developed for the causative virus,SARS-CoV-2.However high mu-tation rate in the viral genome and the emergence of new variants have challenged the effectiveness of these vaccines developed for previous strains.Hence,screening and identification of anti-SARS-CoV-2 agents having multi-target potency would be more impactful in the prevention of the disease.Epicatechin gallate(ECG)is a green tea polyphenol having various medicinal properties,including anti-oxidative and anti-inflammatory effects.However its role as anti-SARS-CoV-2 agent is not clear.Hence the present in silico study aims to investigate the binding potential of ECG with several proteins which are critical to SARS-CoV-2 entry and replication within the host cell.Molecular docking analyses have revealed that ECG could potentially block several amino acid residues of entry factors in host cells,spike protein,and many non-structural proteins through Hydrogen bonds and hy-drophobic interactions.Such interactions with vital proteins could inhibit SARS-CoV-2 entry and its subsequent replication into the host.Therefore,ECG could be a potential therapeutic agent for the prevention of COVID-19.However,the findings of the present study demand further validation in animal models.

关 键 词：Epicatechin gallate FLAVONOIDS SARS-CoV-2 COVID-19 Molecular docking 

分 类 号：R563.1[医药卫生—呼吸系统]