Potential SARS-CoV-2 main protease inhibitors

R Banerjee, L Perera, LMV Tillekeratne - Drug Discovery Today, 2021 - Elsevier
Highlights•The SARS-CoV-2 main protease is a prime drug target.•Coronavirus main
proteases share a structurally conserved substrate-binding region.•The structure and …

A review on drug repurposing applicable to COVID-19

S Dotolo, A Marabotti, A Facchiano… - Briefings in …, 2021 - academic.oup.com
Drug repurposing involves the identification of new applications for existing drugs at a lower
cost and in a shorter time. There are different computational drug-repurposing strategies and …

Exploration of natural compounds with anti-SARS-CoV-2 activity via inhibition of SARS-CoV-2 Mpro

S Bharadwaj, A Dubey, U Yadava… - Briefings in …, 2021 - academic.oup.com
Abstract Coronavirus disease 2019 (COVID-19), caused by severe acute respiratory
syndrome coronavirus 2 (SARS-CoV-2), is a dreaded pandemic in lack of specific …

Automated discovery of noncovalent inhibitors of SARS-CoV-2 main protease by consensus Deep Docking of 40 billion small molecules

F Gentile, M Fernandez, F Ban, AT Ton, H Mslati… - Chemical …, 2021 - pubs.rsc.org
Recent explosive growth of 'make-on-demand'chemical libraries brought unprecedented
opportunities but also significant challenges to the field of computer-aided drug discovery …

Therapeutic potentials of antiviral plants used in traditional African medicine with COVID-19 in focus: A Nigerian perspective

AF Attah, AA Fagbemi, O Olubiyi… - Frontiers in …, 2021 - frontiersin.org
The coronavirus disease 2019 (COVID-19) pandemic is caused by an infectious novel strain
of coronavirus known as severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) …

Screening of phytochemicals as potent inhibitor of 3-chymotrypsin and papain-like proteases of SARS-CoV2: an in silico approach to combat COVID-19

A Swargiary, S Mahmud, MA Saleh - Journal of Biomolecular …, 2022 - Taylor & Francis
COVID-19 and its causative organism SARS-CoV2 that emerged from Wuhan city, China
have paralyzed the world. With no clinically approved drugs, the global health system is …

A multi-pronged approach targeting SARS-CoV-2 proteins using ultra-large virtual screening

C Gorgulla, KMP Das, KE Leigh, M Cespugli… - Iscience, 2021 - cell.com
The unparalleled global effort to combat the continuing severe acute respiratory syndrome
coronavirus 2 (SARS-CoV-2) pandemic over the last year has resulted in promising …

Allosteric binding sites of the SARS-CoV-2 main protease: Potential targets for broad-spectrum anti-coronavirus agents

L Alzyoud, MA Ghattas, N Atatreh - Drug Design, Development and …, 2022 - Taylor & Francis
The current pandemic caused by the COVID-19 disease has reached everywhere in the
world and has affected every aspect of our lives. As of the current data, the World Health …

[HTML][HTML] In silico identification of potential natural product inhibitors of human proteases key to SARS-CoV-2 infection

RP Vivek-Ananth, A Rana, N Rajan, HS Biswal… - Molecules, 2020 - mdpi.com
Presently, there are no approved drugs or vaccines to treat COVID-19, which has spread to
over 200 countries and at the time of writing was responsible for over 650,000 deaths …

[HTML][HTML] GC-MS, LC-MS/MS, docking and molecular dynamics approaches to identify potential SARS-CoV-2 3-chymotrypsin-like protease inhibitors from Zingiber …

MS Zubair, S Maulana, A Widodo, R Pitopang, M Arba… - Molecules, 2021 - mdpi.com
This study aims to identify and isolate the secondary metabolites of Zingiber officinale using
GC-MS, preparative TLC, and LC-MS/MS methods, to evaluate the inhibitory potency on …