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 …

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) …

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 …

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 …

NMR Characterization of the Papain-like Protease from SARS-CoV-2 Identifies the Conformational Heterogeneity in Its Inhibitor-Binding Site

Y Shiraishi, I Shimada - Journal of the American Chemical Society, 2023 - ACS Publications
Papain-like protease (PLpro) from severe acute respiratory syndrome Coronavirus 2 (SARS-
CoV-2) is a prime target for the development of antivirals for Coronavirus disease 2019 …

Identification of C270 as a novel site for allosteric modulators of SARS-CoV-2 papain-like protease

H Hu, Q Wang, H Su, Q Shao, W Zhao, G Chen, M Li… - bioRxiv, 2022 - biorxiv.org
The papain-like protease (PLpro) in coronavirus is one of key cysteine proteases
responsible for the proteolytic processing of viral polyproteins, and plays an important role in …

[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 …

A covalent inhibitor targeting the papain-like protease from SARS-CoV-2 inhibits viral replication

H Han, AV Gracia, JJ Røise, L Boike, K Leon… - RSC …, 2023 - pubs.rsc.org
Covalent inhibitors of the papain-like protease (PLpro) from SARS-CoV-2 have great
potential as antivirals, but their non-specific reactivity with thiols has limited their …

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 …

SARS-CoV-2 papain-like protease PLpro in complex with natural compounds reveal allosteric sites for antiviral drug design

V Srinivasan, H Brognaro, PR Prabhu, EE de Souza… - Biorxiv, 2021 - biorxiv.org
Abstract SARS-CoV-2 papain-like protease (PLpro) covers multiple functions. Beside the
cysteine-protease activity, PLpro has the additional and vital function of removing ubiquitin …