Potential SARS-CoV-2 main protease inhibitors

R Banerjee, L Perera, LMV Tillekeratne - Drug Discovery Today, 2021 - Elsevier
… crystal structure of the SARS-CoV-2 M pro , studies to discover M pro inhibitors using both
virtual … the main inhibitors selected from numerous recent studies of the SARS-CoV-2 M pro . …

Structure-based identification of potential SARS-CoV-2 main protease inhibitors

S Khan, Z Fakhar, A Hussain, A Ahmad… - Journal of …, 2022 - Taylor & Francis
… (M pro ) enzyme of SARS-CoV-2. Since, the M pro enzyme … drug target to control SARS-CoV-2
infection. By using structure… have identified five potential inhibitors of SARS-CoV-2 M pro . …

Computational determination of potential inhibitors of SARS-CoV-2 main protease

ST Ngo, N Quynh Anh Pham, L Thi Le… - Journal of chemical …, 2020 - ACS Publications
… We also found that Glu166 forms H-bonds to all of the inhibitors. Replacing … SARS-CoV-2
Mpro. Our results could contribute to the development of potential drugs inhibiting SARS-CoV-2

[HTML][HTML] Structural basis of potential inhibitors targeting SARS-CoV-2 main protease

HM Mengist, T Dilnessa, T Jin - Frontiers in Chemistry, 2021 - frontiersin.org
… The two drugs were found to be outstanding main protease inhibitors that can also halt
SARS-CoV-2 infection. The crystal structure of the complex showed that the aldehyde group of …

Evaluation of acridinedione analogs as potential SARS-CoV-2 main protease inhibitors and their comparison with repurposed anti-viral drugs

VK Bhardwaj, R Singh, P Das, R Purohit - Computers in Biology and …, 2021 - Elsevier
… -5 could be developed as potential inhibitors of SARS-CoV-2. Moreover, we suggest that …
the S1 subsite could potentially increase the binding of molecules to the SARS-CoV-2 Mpro. …

Virtual screening of approved drugs as potential SARS-CoV-2 main protease inhibitors

A Jimenez-Alberto, RM Ribas-Aparicio… - … biology and chemistry, 2020 - Elsevier
… Taking this into consideration, we performed in silico evaluation of a set of approved drugs
as potential inhibitors of Mpro from SARS-CoV-2; our findings show that several molecules …

[HTML][HTML] In silico evaluation of prospective anti-COVID-19 drug candidates as potential SARS-CoV-2 main protease inhibitors

MAA Ibrahim, AHM Abdelrahman, KS Allemailem… - The Protein …, 2021 - Springer
… This study sheds light on HIV protease drugs as prospective SARS-CoV-2 M pro inhibitors.
… suggested HIV protease drugs and remdesivir as promising SARS-CoV-2 M pro inhibitors. …

[HTML][HTML] Potential bioactive glycosylated flavonoids as SARS-CoV-2 main protease inhibitors: A molecular docking and simulation studies

SA Cherrak, H Merzouk, N Mokhtari-Soulimane - Plos one, 2020 - journals.plos.org
… has been made and their potential inhibitory effect against SARSCoV-2 Mpro by
molecular … between flavonoids with sugar moieties and the main protease of the SARS-CoV-2virus. …

[HTML][HTML] Potential resistance of SARS-CoV-2 main protease (Mpro) against protease inhibitors: lessons learned from HIV-1 protease

JA Mótyán, M Mahdi, G Hoffka, J Tőzsér - International journal of …, 2022 - mdpi.com
… binding to SARS-CoV-2 Mpro and draw a comparison to inhibitors of HIV protease that were
… resistance mutations, emphasizing potential pitfalls in the design of inhibitors that may be of …

Molecular docking of potential SARS-CoV-2 papain-like protease inhibitors

D Li, J Luan, L Zhang - Biochemical and biophysical research …, 2021 - Elsevier
SARS-CoV-2 papain-like protease is considered as an important potential target for anti-SARS-CoV-2
to identify the possible inhibitors of the SARS-CoV-2 papain-like protease, by …