Protease targeted COVID-19 drug discovery and its challenges: Insight into viral main protease (Mpro) and papain-like protease (PLpro) inhibitors

SA Amin, S Banerjee, K Ghosh, S Gayen… - Bioorganic & medicinal …, 2021 - Elsevier
… In this scenario, viral protease enzymes are crucial targets for drug discovery. This … focused
on two viral proteases such as main protease (Mpro) and papain-like protease (PLpro), those …

[PDF][PDF] Potential inhibitor of COVID-19 main protease (Mpro) from several medicinal plant compounds by molecular docking study

S Khaerunnisa, H Kurniawan, R Awaluddin, S Suhartati… - Preprints, 2020 - lavierebelle.org
… The present study focused on the main proteases in CoVs (3CLpro/Mpro), especially PDB
ID 6LU7, as potential target proteins for COVID-19 treatment. 6LU7 is the Mpro in COVID-19

[PDF][PDF] Statins and the COVID-19 main protease: in silico evidence on direct interaction

Ž Reiner, M Hatamipour, M Banach, M Pirro… - Archives of Medical …, 2020 - termedia.pl
… This might explain why statins could be useful in the treatment of COVID-19. … COVID-19
Mpro inhibitors. Namely, most recently the SARS-CoV-2 main protease (Mpro), a key coronavirus

The SARS‐CoV‐2 main protease (Mpro): Structure, function, and emerging therapies for COVID19

Q Hu, Y Xiong, GH Zhu, YN Zhang, YW Zhang… - MedComm, 2022 - Wiley Online Library
coronavirus-caused infectious diseases, including COVID-19. This … syndrome coronavirus
2 (SARS-CoV-2) main protease M pro … as novel anti-coronavirus therapies are also proposed. …

[HTML][HTML] Recognition of natural products as potential inhibitors of COVID-19 main protease (Mpro): In-silico evidences

RR Narkhede, AV Pise, RS Cheke… - Natural products and …, 2020 - Springer
… antivirals specific to COVID-19 treatment. The 2019-nCoV and SARS-CoV utilize the same
receptor of the host which is COVID-19 of the main protease (Mpro).COVID-19 caused by …

[HTML][HTML] Rational approach toward COVID-19 main protease inhibitors via molecular docking, molecular dynamics simulation and free energy calculation

S Keretsu, SP Bhujbal, SJ Cho - Scientific reports, 2020 - nature.com
… The α-ketoamide inhibitor 13b showed an IC 50 value of 0.67 μM for purified recombinant
SARS-CoV-2 main protease 3CL pro and also showed inhibitory activity against COVID-19

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

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

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
… An attractive drug target among coronaviruses is the main protease (M pro , 3CL pro ), due …
focused on the main proteases in CoVs as potential target proteins for COVID-19 treatment. M …

Virtual screening based on molecular docking of possible inhibitors of Covid-19 main protease

EM Marinho, JB de Andrade Neto, J Silva… - Microbial …, 2020 - Elsevier
… studies against the recent coronavirus epidemics, including … described for the treatment of
COVID-19 (Azithromycin, Baricitinib… ) compared to the COVID-19 main protease in the complex …

[PDF][PDF] Identification of potent COVID-19 main protease (Mpro) inhibitors from natural polyphenols: an in silico strategy unveils a hope against CORONA

S Adem, V Eyupoglu, I Sarfraz, A Rasul, M Ali - Preprints, 2020 - academia.edu
… Possible docking modes between compounds and the main protease of COVID-19 were
studied using the Molegro Virtual Docker 7 (15). The score function used is MolDock score with …