Computational molecular docking and virtual screening revealed promising SARS-CoV-2 drugs

M Hosseini, W Chen, D **ao… - Precision clinical medicine, 2021 - academic.oup.com
The pandemic of novel coronavirus disease 2019 (COVID-19) has rampaged the world, with
more than 58.4 million confirmed cases and over 1.38 million deaths across the world by 23 …

Potent phytochemicals against COVID-19 infection from phyto-materials used as antivirals in complementary medicines: a review

CS Sharanya, A Sabu, M Haridas - Future Journal of Pharmaceutical …, 2021 - Springer
Background Following the outbreak of the COVID-19 pandemic, there was a surge of
research activity to find methods/drugs to treat it. There has been drug-repurposing research …

[HTML][HTML] Drug repurposing for identification of potential spike inhibitors for SARS-CoV-2 using molecular docking and molecular dynamics simulations

M Lazniewski, D Dermawan, S Hidayat, M Muchtaridi… - Methods, 2022 - Elsevier
For the last two years, the COVID-19 pandemic has continued to bring consternation on
most of the world. According to recent WHO estimates, there have been more than 5.6 …

Identification of SARS-CoV-2–induced pathways reveals drug repurposing strategies

N Han, W Hwang, K Tzelepis, P Schmerer… - Science …, 2021 - science.org
The global outbreak of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2)
necessitates the rapid development of new therapies against coronavirus disease 2019 …

An update of carbazole treatment strategies for COVID-19 infection

MG Bonomo, A Caruso, H El-Kashef, G Salzano… - Applied Sciences, 2023 - mdpi.com
The Coronavirus disease 2019 (COVID-19) outbreak was declared by the World Health
Organization (WHO) in March 2020 to be a pandemic and many drugs used at the beginning …

Identification of Drug Combination Therapies for SARS-CoV-2: A Molecular Dynamics Simulations Approach

H Abdel-Halim, M Hajar, L Hasouneh… - Drug Design …, 2022 - Taylor & Francis
Purpose The development of effective treatments for coronavirus infectious disease 19
(COVID-19) caused by SARS-Coronavirus-2 was hindered by the little data available about …

Potential SARS-CoV-2 protease Mpro inhibitors: Repurposing FDA-approved drugs

VL Kouznetsova, DZ Huang, IF Tsigelny - Physical Biology, 2021 - iopscience.iop.org
Using as a template the crystal structure of the SARS-CoV-2 main protease, we developed a
pharmacophore model of functional centers of the protease inhibitor-binding pocket. With …

[HTML][HTML] Molecular docking and dynamics investigations for identifying potential inhibitors of the 3-chymotrypsin-like protease of SARS-CoV-2: repurposing of …

AO Elzupir - Molecules, 2021 - mdpi.com
This study demonstrates the inhibitory effect of 42 pyrimidonic pharmaceuticals (PPs) on the
3-chymotrypsin-like protease of SARS-CoV-2 (3CLpro) through molecular docking …

Virtual screening as therapeutic strategy of COVID-19 targeting angiotensin-converting enzyme 2

Z Sharifinia, S Asadi, M Iranibazaz… - Frontiers in Molecular …, 2021 - syncsci.com
Objective: The receptor-binding domain (RBD) of the S1 domain of the SARS-CoV-2 Spike
protein performs a key role in the interaction with Angiotensin-converting enzyme 2 (ACE2) …

[PDF][PDF] Potent phytochemicals against COVID-19 infection from phyto-materials used as antivirals in complementary medicines

CS Sharanya, A Sabu, M Haridas - 2021 - fjps.springeropen.com
Background: Following the outbreak of the COVID-19 pandemic, there was a surge of
research activity to find methods/drugs to treat it. There has been drug-repurposing research …