Exploring the binding dynamics of covalent inhibitors within active site of PLpro in SARS-CoV-2

DK Patel, H Kumar, ME Sobhia - Computational Biology and Chemistry, 2024 - Elsevier
In the global fight against the COVID-19 pandemic caused by the highly transmissible SARS-
CoV-2 virus, the search for potent medications is paramount. With a focused investigation on …

Mechanistic Insights into Targeting SARS-CoV-2 Papain-Like Protease in the Evolution and Management of COVID-19: A Comprehensive Review

NN MAGWAZA, A MUSHEBENGE, SC UGBAJA… - 2023 - preprints.org
The new coronavirus SARS-CoV-2 is the cause of the COVID-19 pandemic, which has
created an incomparable global health problem. PLpro is a key protein involved in viral …

[HTML][HTML] Mechanistic Insights into Targeting SARS-CoV-2 Papain-like Protease in the Evolution and Management of COVID-19

NN Magwaza, AGA Mushebenge, SC Ugbaja… - BioChem, 2024 - mdpi.com
The COVID-19 pandemic, instigated by the emergence of the novel coronavirus, SARS-CoV-
2, created an incomparable global health crisis. Due to its highly virulent nature, identifying …

Discovery of Novel Allosteric Sites of SARS-CoV-2 Papain-Like Protease (PLpro)

JC Ferreira, KA Adem, S Fadl, AJ Villanueva, L Alzyoud… - bioRxiv, 2023 - biorxiv.org
Papain-like protease (PLpro) is a viral protease found in some coronaviruses, including
SARS-CoV-2, the virus that causes COVID-19. Inhibition of PLpro activity could potentially …

[HTML][HTML] Unraveling the catalytic mechanism of SARS-CoV-2 papain-like protease with allosteric modulation of C270 mutation using multiscale computational …

Q Shao, M Xiong, J Li, H Hu, H Su, Y Xu - Chemical Science, 2023 - pubs.rsc.org
Papain-like protease (PLpro) is a promising therapeutic target against SARS-CoV-2, but its
restricted S1/S2 subsites pose an obstacle in developing active site-directed inhibitors. We …

[HTML][HTML] Repurposing of FDA Approved Drugs Against SARS-CoV-2 Papain-Like Protease: Computational, Biochemical, and in vitro Studies

R Kulandaisamy, T Kushwaha, A Dalal… - Frontiers in …, 2022 - frontiersin.org
The pandemic caused by SARS-CoV-2 (SCoV-2) has impacted the world in many ways and
the virus continues to evolve and produce novel variants with the ability to cause frequent …

[HTML][HTML] Identification of novel allosteric sites of SARS-CoV-2 papain-like protease (PLpro) for the development of COVID-19 antivirals

JC Ferreira, AJ Villanueva, K Al Adem, S Fadl… - Journal of Biological …, 2024 - jbc.org
Coronaviruses such as SARS-CoV-2 encode a conserved papain-like protease (PLpro) that
is crucial for viral replication and immune evasion, making it a prime target for antiviral drug …

[HTML][HTML] In silico Exploration of Inhibitors for SARS-CoV-2's Papain-Like Protease

T Huynh, W Cornell, B Luan - Frontiers in chemistry, 2021 - frontiersin.org
Coronavirus disease 2019 (COVID-19) is an ongoing global pandemic caused by severe
acute respiratory syndrome coronavirus 2 (SARS-CoV-2), with very limited treatments so far …

[HTML][HTML] Inhibitor induced conformational changes in SARS-COV-2 papain-like protease

GM Ferreira, T Pillaiyar, MH Hirata, A Poso… - Scientific Reports, 2022 - nature.com
Abstract SARS-CoV-2's papain-like protease (PLpro) interaction with ligands has recently
been explored with a myriad of crystal structures. We used molecular dynamics (MD) …

Activity profiling and crystal structures of inhibitor-bound SARS-CoV-2 papain-like protease: A framework for anti–COVID-19 drug design

W Rut, Z Lv, M Zmudzinski, S Patchett, D Nayak… - Science …, 2020 - science.org
Viral papain-like cysteine protease (PLpro, NSP3) is essential for SARS-CoV-2 replication
and represents a promising target for the development of antiviral drugs. Here, we used a …