[HTML][HTML] Molecular docking analysis of novel quercetin derivatives for combating SARS-CoV-2

RK Hussein, M Marashdeh, AM El-Khayatt - Bioinformation, 2023 - ncbi.nlm.nih.gov
Quercetin belongs to the flavonoid family, which is one of the most frequent types of plant
phenolics. This flavonoid compound is a natural substance having a number of …

In silico screening of flavonoids unearthed Apigenin and Epigallocatechin Gallate, possessing antiviral potentiality against Delta and Omicron variants of SARS-CoV-2

S Chatterjee, N Pyne, S Paul - The Nucleus, 2023 - Springer
The SARS-CoV-2 deadly virus has infected more than 618 million people and caused nearly
6.5 million deaths worldwide. It contains a single-stranded RNA and polypeptides encoding …

Flavonoids in Ampelopsis grossedentata as covalent inhibitors of SARS-CoV-2 3CLpro: Inhibition potentials, covalent binding sites and inhibitory mechanisms

Y Xiong, GH Zhu, YN Zhang, Q Hu, HN Wang… - International Journal of …, 2021 - Elsevier
Abstract Coronavirus 3C-like protease (3CL pro) is a crucial target for treating coronavirus
diseases including COVID-19. Our preliminary screening showed that Ampelopsis …

[HTML][HTML] In-silico evaluation of natural alkaloids against the main protease and spike glycoprotein as potential therapeutic agents for SARS-CoV-2

M Shah, R Yamin, I Ahmad, G Wu, Z Jahangir… - Plos one, 2024 - journals.plos.org
Severe Acute Respiratory Syndrome Corona Virus (SARS-CoV-2) is the causative agent of
COVID-19 pandemic, which has resulted in global fatalities since late December 2019 …

[HTML][HTML] In silico evaluation of different flavonoids from medicinal plants for their potency against SARS-CoV-2

HRA El-Mageed, DA Abdelrheem, MO Rafi, MT Sarker… - Biologics, 2021 - mdpi.com
The ongoing pandemic situation of COVID-19 caused by severe acute respiratory syndrome
coronavirus 2 (SARS-CoV-2) poses a global threat to both the world economy and public …

[HTML][HTML] Perceiving SARS-CoV-2 Mpro and PLpro dual inhibitors from pool of recognized antiviral compounds of endophytic microbes: an in silico simulation study

J Prajapati, R Patel, P Rao, M Saraf, R Rawal… - Structural Chemistry, 2022 - Springer
Abstract Coronavirus disease 2019 (COVID-19) persists and shook the global population
where the endgame to this pandemic is brought on by developing vaccines in record …

Repurposing of the herbal formulations: molecular docking and molecular dynamics simulation studies to validate the efficacy of phytocompounds against SARS-CoV …

C Joshi, A Chaudhari, C Joshi, M Joshi… - Journal of …, 2022 - Taylor & Francis
Herbal formulations mentioned in traditional medicinal texts were investigated for in silico
effect against SARS-COV-2 proteins involved in various functions of a virus such as …

In silico validation of anti-viral drugs obtained from marine sources as a potential target against SARS-CoV-2 Mpro

S Ghosh, S Das, I Ahmad, H Patel - Journal of the Indian Chemical Society, 2021 - Elsevier
COVID-19 caused by Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2)
has threatened the whole world affecting almost 243 million people globally. Originating …

[引用][C] Computer aid screening for potential antimalarial choroquinone compounds as Covid 19 utilizing computational calculations and molecular docking study

A Aboelnaga, AM Fahim, TH El-Sayed - OnLine Journal of Biological Sciences, 2020

Prospecting for Cressa cretica to treat COVID-19 via in silico molecular docking models of the SARS-CoV-2

S Shah, D Chaple, S Arora, S Yende… - Journal of …, 2022 - Taylor & Francis
The severe acute respiratory syndrome COVID-19 declared as a global pandemic by the
World Health Organization has become the present wellbeing worry to the whole world …