Theoretical Evaluation of Bortezomib and Other Boron-Containing Compounds as Inhibitors of SARS-CoV-2 Main Protease

IRV Valdez, JM Santiago-Quintana, M ROSALEZ… - 2020 - chemrxiv.org
The aim of the present docking study was to explore the putative role of boronic moieties in
molecules interacting on the binding site of the SARS-CoV-2 main protease. The …

Docking simulations exhibit bortezomib and other boron-containing peptidomimetics as potential inhibitors of SARS-CoV-2 main protease

IR Vega-Valdez, R Melvin N, SQ José M… - Current Chemical …, 2020 - ingentaconnect.com
Background: Treatment of the COVID19 pandemic requires drug development. Boron-
containing compounds are attractive chemical agents, some of them act as proteases …

Computational identification of disulfiram and neratinib as putative SARS-CoV-2 main protease inhibitors

VS Stroylov, IV Svitanko - Mendeleev Communications, 2020 - Elsevier
Identification of disulfiram and neratinib as putative covalent inhibitors of SARS-CoV-2 virus
main protease M pro by a combination of 'on-top docking'procedure, expert evaluation of …

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 …

[PDF][PDF] Computational screening of dual inhibitors from FDA approved antiviral drugs on SARS-CoV-2 spike protein and the main protease using molecular docking …

S Sabarimurugan, I Purushothaman… - Acta virologica, 2021 - academia.edu
The deadly disease-causing novel coronavirus has recently swept across the world and
endangered many human lives. Although, various research on therapeutic measures to …

Molecular Docking Studies of Boron‐Containing Compounds as Dual Inhibitors of SARS‐Cov‐2 Spike Receptor Binding Domain/ACE2 Complex and Main Protease …

S Ercan, M Pir - ChemistrySelect, 2023 - Wiley Online Library
The severe acute respiratory syndrome SARS‐CoV‐2 is the causative agent of COVID‐19.
Preventing binding of SARS‐CoV‐2 Spike glycoprotein to human ACE2 enzyme and …

Initial study on SARS-CoV-2 main protease inhibition mechanism of some potential drugs using molecular docking simulation

PM Quan, TQ Toan, NS Tung, NT Dan… - Vietnam Journal of …, 2020 - vjs.ac.vn
The infection by the new coronavirus SARS-CoV-2 (called as COVID-19 disease) is a
worldwide emergency, however, there is no antiviral treatment or vaccine until now. The …

[HTML][HTML] Repurposing of known anti-virals as potential inhibitors for SARS-CoV-2 main protease using molecular docking analysis

M Hakmi, EM Bouricha, I Kandoussi, J El Harti… - …, 2020 - ncbi.nlm.nih.gov
The new SARS-CoV-2 coronavirus is the causative agent of the COVID-19 pandemic
outbreak that affected more than 190 countries worldwide with more than 292,000 confirmed …

In silico and in vitro assays reveal potential inhibitors against 3CLpro main protease of SARS-CoV-2

E Iype, J Pillai U, I Kumar… - Journal of …, 2022 - Taylor & Francis
The COVID-19 pandemic, caused by the novel severe acute respiratory syndrome
coronavirus 2 (SARS-CoV-2), is not showing any sign of slowing down even after the …

Virtual screening, drug-likeness analysis, and molecular docking study of potentialsevere acute respiratory syndrome coronavirus 2 main protease inhibitors

N NEDELJKOVIC, M Nikolic… - Turkish Journal of …, 2022 - journals.tubitak.gov.tr
Due to the length of time required to develop specific antiviral agents, the World Health
Organization adopted the strategy of repurposing existing medications to treat Coronavirus …