Virtual screening-driven drug discovery of SARS-CoV2 enzyme inhibitors targeting viral attachment, replication, post-translational modification and host immunity …

MTJ Quimque, KIR Notarte… - Journal of …, 2021 - Taylor & Francis
The novel coronavirus SARS-CoV2, the causative agent of the pandemic disease COVID-
19, emerged in December 2019 forcing lockdown of communities in many countries. The …

ABBV-744 as a potential inhibitor of SARS-CoV-2 main protease enzyme against COVID-19

Z Fakhar, S Khan, SY AlOmar, A Alkhuriji, A Ahmad - Scientific Reports, 2021 - nature.com
A new pathogen severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has
spread worldwide and become pandemic with thousands new deaths and infected cases …

Identification of antiviral phytochemicals as a potential SARS-CoV-2 main protease (Mpro) inhibitor using docking and molecular dynamics simulations

CN Patel, SP Jani, DG Jaiswal, SP Kumar… - Scientific Reports, 2021 - nature.com
Abstract Novel SARS-CoV-2, an etiological factor of Coronavirus disease 2019 (COVID-19),
poses a great challenge to the public health care system. Among other druggable targets of …

Combined drug repurposing and virtual screening strategies with molecular dynamics simulation identified potent inhibitors for SARS-CoV-2 main protease (3CLpro)

A Khan, SS Ali, MT Khan, S Saleem, A Ali… - Journal of …, 2021 - Taylor & Francis
The current coronavirus (SARS-COV-2) pandemic and phenomenal spread to every nook
and cranny of the world has raised major apprehensions about the modern public health …

[HTML][HTML] Structural elucidation of SARS-CoV-2 vital proteins: Computational methods reveal potential drug candidates against main protease, Nsp12 polymerase and …

MU Mirza, M Froeyen - Journal of pharmaceutical analysis, 2020 - Elsevier
Recently emerged SARS-CoV-2 caused a major outbreak of coronavirus disease 2019
(COVID-19) and instigated a widespread fear, threatening global health safety. To date, no …

Anthocyanin derivatives as potent inhibitors of SARS-CoV-2 main protease: An in-silico perspective of therapeutic targets against COVID-19 pandemic

Z Fakhar, B Faramarzi, S Pacifico… - Journal of Biomolecular …, 2021 - Taylor & Francis
A new pathogen severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has
spread worldwide and become pandemic with thousands new deaths and infected cases …

In-silico drug repurposing and molecular dynamics puzzled out potential SARS-CoV-2 main protease inhibitors

MAA Ibrahim, AHM Abdelrahman… - Journal of biomolecular …, 2021 - Taylor & Francis
Herein, the DrugBank database which contains 10,036 approved and investigational drugs
was explored deeply for potential drugs that target SARS-CoV-2 main protease (Mpro) …

Evaluation of clove phytochemicals as potential antiviral drug candidates targeting SARS-CoV-2 Main protease: computational docking, molecular dynamics …

A Chandra Manivannan, A Malaisamy… - Frontiers in Molecular …, 2022 - frontiersin.org
The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) virus can cause a
sudden respiratory disease spreading with a high mortality rate arising with unknown …

High throughput virtual screening reveals SARS-CoV-2 multi-target binding natural compounds to lead instant therapy for COVID-19 treatment

B Naik, N Gupta, R Ojha, S Singh, VK Prajapati… - International Journal of …, 2020 - Elsevier
The present-day world is severely suffering from the recently emerged SARS-CoV-2. The
lack of prescribed drugs for the deadly virus has stressed the likely need to identify novel …

[HTML][HTML] Inhibition of the main protease of SARS-CoV-2 (Mpro) by repurposing/designing drug-like substances and utilizing nature's toolbox of bioactive compounds

I Antonopoulou, E Sapountzaki, U Rova… - Computational and …, 2022 - Elsevier
The emergence of the Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2)
has resulted in a long pandemic, with numerous cases and victims worldwide and enormous …