Virtual screening and repurposing of FDA approved drugs against COVID-19 main protease

M Kandeel, M Al-Nazawi - Life sciences, 2020 - Elsevier
Abstract Aims In December 2019, the Coronavirus disease-2019 (COVID-19) virus has
emerged in Wuhan, China. In this research, the first resolved COVID-19 crystal structure …

[HTML][HTML] Unrevealing sequence and structural features of novel coronavirus using in silico approaches: The main protease as molecular target

JT Ortega, ML Serrano, FH Pujol, HR Rangel - EXCLI journal, 2020 - ncbi.nlm.nih.gov
Direct-acting antivirals are effective tools to control viral infections. SARS-CoV-2 is a
coronavirus associated with the epidemiological outbreak in late 2019. Previous reports …

Remdesivir (GS-5734) as a therapeutic option of 2019-nCOV main protease – in silico approach

VR Naik, M Munikumar, U Ramakrishna… - Journal of …, 2021 - Taylor & Francis
Novel Coronavirus (2019-nCOV), enclosed large genome positive-sense RNA virus
characterized by crown-like spikes that protrude from their surface, and have a distinctive …

Study of combining virtual screening and antiviral treatments of the Sars-CoV-2 (Covid-19)

E Khodadadi, P Maroufi, E Khodadadi, I Esposito… - Microbial …, 2020 - Elsevier
The recent epidemic outbreak of a novel human coronavirus called SARS-CoV-2 and
causing the respiratory tract disease COVID-19 has reached worldwide resonance and a …

Identification of potential molecules against COVID-19 main protease through structure-guided virtual screening approach

L Mittal, A Kumari, M Srivastava, M Singh… - Journal of …, 2021 - Taylor & Francis
The pandemic caused by novel coronavirus disease 2019 (COVID-19) infecting millions of
populations worldwide and counting, has demanded quick and potential therapeutic …

[HTML][HTML] In silico evaluation of the effectivity of approved protease inhibitors against the main protease of the novel SARS-CoV-2 virus

P Eleftheriou, D Amanatidou, A Petrou, A Geronikaki - Molecules, 2020 - mdpi.com
The coronavirus disease, COVID-19, caused by the novel coronavirus SARS-CoV-2, which
first emerged in Wuhan, China and was made known to the World in December 2019 turned …

Nelfinavir was predicted to be a potential inhibitor of 2019-nCov main protease by an integrative approach combining homology modelling, molecular docking and …

Z Xu, C Peng, Y Shi, Z Zhu, K Mu, X Wang, W Zhu - BioRxiv, 2020 - biorxiv.org
nCov has caused more than 80 deaths as of 27 January 2020 in China, and infection cases
have been reported in more than 10 countries. However, there is no approved drug to treat …

[HTML][HTML] Potential inhibitors against papain-like protease of novel coronavirus (SARS-CoV-2) from FDA approved drugs

R Arya, A Das, V Prashar, M Kumar - 2020 - europepmc.org
The cases of 2019 novel coronavirus (SARS-CoV-2) infection have been continuously
increasing ever since its outbreak in China last December. Currently, there are no approved …

Identification of high-affinity inhibitors of SARS-CoV-2 main protease: Towards the development of effective COVID-19 therapy

T Mohammad, A Shamsi, S Anwar, M Umair, A Hussain… - Virus research, 2020 - Elsevier
Abstract Coronavirus disease 2019 (COVID-19) is an infectious disease, caused by a newly
emerged highly pathogenic virus called novel severe acute respiratory syndrome …

Repurposing of FDA-approved drugs as potential inhibitors of the SARS-CoV-2 main protease: Molecular insights into improved therapeutic discovery

AK Ray, PSS Gupta, SK Panda, S Biswal… - Computers in biology …, 2022 - Elsevier
With numerous infections and fatalities, COVID-19 has wreaked havoc around the globe.
The main protease (Mpro), which cleaves the polyprotein to form non-structural proteins …