Potential SARS-CoV-2 main protease inhibitors

R Banerjee, L Perera, LMV Tillekeratne - Drug Discovery Today, 2021 - Elsevier
… Alliin was a more potent inhibitor than remdesivir and ritonavir. Considering its small size,
its possession of several heteroatom functionalities that can form hydrogen bonds and its …

Characterization and inhibition of SARS-coronavirus main protease

PH Liang - Current topics in medicinal chemistry, 2006 - ingentaconnect.com
… identified as potent inhibitors of the SARS-CoV main protease. The different classes of
inhibitors reported in these studies are summarized in this review. Some of these inhibitors could …

Identification of saquinavir as a potent inhibitor of dimeric SARS-CoV2 main protease through MM/GBSA

M Bello, A Martínez-Muñoz… - Journal of molecular …, 2020 - Springer
inhibitors against COVID-19, SARS-CoV2 main proteinase (M … is a promising target of potential
inhibitors of COVID-19. Recently… This analysis identified saquinavir as a potent inhibitor of …

Plant-based phytochemical screening by targeting main protease of SARS-CoV-2 to design effective potent inhibitors

S Mahmud, S Biswas, GK Paul, MA Mita, MM Promi… - Biology, 2021 - mdpi.com
… screening results, three potent inhibitors targeting the SARS-… , which is vital for targeted M
pro inhibition. Our first compound, … the inhibition of aβ aggerates formation [88], and inhibits cell …

Finding potent inhibitors for COVID-19 main protease (Mpro): an in silico approach using SARS-CoV-3CL protease inhibitors for combating CORONA

M Motiwale, NS Yadav, S Kumar… - Journal of …, 2022 - Taylor & Francis
inhibitors against M pro of SARS-CoV-2 from previously reported SARS-3CL protease
inhibitors. … pyrazolone compounds could be used as a potent inhibitor and may possess an anti-…

[HTML][HTML] Identification of natural compounds as potent inhibitors of SARS-CoV-2 main protease using combined docking and molecular dynamics simulations

DS Jairajpuri, A Hussain, K Nasreen… - Saudi Journal of …, 2021 - Elsevier
… The main protease (M pro or 3CL pro ) of SARS-CoV-2 plays a central role in its … drug
design and development of small-molecule inhibitors. We have employed an extensive structure-…

Diastereomeric resolution yields highly potent inhibitor of SARS-CoV-2 main protease

MS Cooper, L Zhang, M Ibrahim, K Zhang… - Journal of Medicinal …, 2022 - ACS Publications
… In summary, we report a highly potent inhibitor of the SARS-CoV-2 M pro , 13b-K, that
was revealed through diastereomeric resolution of a previously reported inhibitor. 13b-K …

[PDF][PDF] Rifampicin as potent inhibitor of COVID-19 main protease: In-silico docking approach

H Soni, D Gautam, S Sharma… - Saudi Journal of Medical …, 2020 - saudijournals.com
… find new COVID-19 main protease inhibitor by molecular docking approach. The present
study reveals that rifampicin has good binding affinity with COVID-19 protease and thus can be …

From repurposing to redesign: optimization of boceprevir to highly potent inhibitors of the SARS-CoV-2 main protease

M Göhl, L Zhang, H El Kilani, X Sun, K Zhang… - Molecules, 2022 - mdpi.com
inhibition, we also explored the activity of MG-78 against the M pro of the alphacoronavirus
HCoV NL63 and against enterovirus 3C proteases… for obtaining high-potency inhibitors of the …

Combined drug repurposing and virtual screening strategies with molecular dynamics simulation identified potent inhibitors for SARS-CoV-2 main protease (3CLpro)

A Khan, SS Ali, MT Khan, S Saleem, A Ali… - Journal of …, 2021 - Taylor & Francis
Full article: Combined drug repurposing and virtual screening strategies with molecular
dynamics simulation identified potent inhibitors for SARS-CoV-2 main protease (3CLpro) Skip to …