[HTML][HTML] Theoretical molecular docking study of the structural disruption of the viral 3CL-protease of COVID19 induced by binding of capsaicin, piperine and curcumin …

LA Gonzalez-Paz, CA Lossada, LS Moncayo… - 2020 - europepmc.org
The global pandemic caused by infections of the new coronavirus (COVID-19) makes it
necessary to find possible less toxic and easily accessible therapeutic agents. In this study …

In silico detection of potential inhibitors from vitamins and their derivatives compounds against SARS-CoV-2 main protease by using molecular docking, molecular …

A Belhassan, S Chtita, H Zaki, M Alaqarbeh… - Journal of molecular …, 2022 - Elsevier
COVID-19 is a new infectious disease caused by SARS-COV-2 virus of the coronavirus
Family. The identification of drugs against this serious infection is a significant requirement …

Evaluation of the effects of chlorhexidine and several flavonoids as antiviral purposes on SARS-CoV-2 main protease: molecular docking, molecular dynamics …

G Tatar, M Salmanli, Y Dogru… - Journal of Biomolecular …, 2022 - Taylor & Francis
The recent outbreak of COVID-19 caused by a new human coronavirus called SARS-CoV-2,
is continually causing worldwide human infections and deaths. The main protease (3CLpro) …

Investigating the potential antiviral activity drugs against SARS-CoV-2 by molecular docking simulation

AN El-Hoshoudy - Journal of molecular liquids, 2020 - Elsevier
Recently, scary viral pneumonia is known as (COVID-19) has swept the whole world. The
new virus strain designated as SARS-CoV-2 belonging to the coronavirus family. Although …

Discovery of potential SARS-CoV 3CL protease inhibitors from approved antiviral drugs using: virtual screening, molecular docking, pharmacophore mapping …

I Daoud, F Mesli, N Melkemi, S Ghalem… - Journal of Biomolecular …, 2022 - Taylor & Francis
The spread of corona-virus disease 2019 (COVID-19) has been faster than any other corona-
viruses that have succeeded in crossing the animal-human barrier. This disease, caused by …

Comprehensive in silico screening of flavonoids against SARS-CoV-2 main protease

MS Moezzi - Journal of Biomolecular Structure and Dynamics, 2023 - Taylor & Francis
In the current pandemic caused by the new coronavirus (SARS-CoV-2), computational drug
discovery can play an essential role in finding potential therapeutic agents. Thanks to its anti …

Moroccan Medicinal plants as inhibitors against SARS-CoV-2 main protease: Computational investigations

I Aanouz, A Belhassan, K El-Khatabi… - Journal of …, 2021 - Taylor & Francis
The new Corona-virus, recently called the severe acute respiratory syndrome Coronavirus
(SARS-CoV-2) appears for the first time in China and more precisely in Wuhan (December …

Assessment of effective imidazole derivatives against SARS-CoV-2 main protease through computational approach

A Belhassan, F En-Nahli, H Zaki, T Lakhlifi… - Life Sciences, 2020 - Elsevier
Because of the fast increase in deaths due to Corona Viral Infection in majority region in the
world, the detection of drugs potent of this infection is a major need. With this idea, docking …

In-Silico approach for identification of effective and stable inhibitors for COVID-19 main protease (Mpro) from flavonoid based phytochemical constituents of Calendula …

P Das, R Majumder, M Mandal… - Journal of Biomolecular …, 2021 - Taylor & Francis
The recent outbreak of the coronavirus disease COVID-19 is putting the world towards a
great threat. A recent study revealed COVID-19 main protease (Mpro) is responsible for the …

An in-silico evaluation of COVID-19 main protease with clinically approved drugs

W Tachoua, M Kabrine, M Mushtaq, Z Ul-Haq - Journal of molecular …, 2020 - Elsevier
A novel strain of coronavirus, namely, SARS-CoV-2 identified in Wuhan city of China in
December 2019, continues to spread at a rapid rate worldwide. There are no specific …