Atomistic-level description of the covalent inhibition of SARS-CoV-2 papain-like protease

C Hognon, M Marazzi, C García-Iriepa - International Journal of …, 2022 - mdpi.com
Inhibition of the papain-like protease (PLpro) of SARS-CoV-2 has been demonstrated to be
a successful target to prevent the spreading of the coronavirus in the infected body. In this …

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 …

In Silico Elucidation of Potent Inhibitors and Rational Drug Design against SARS-CoV-2 Papain-like Protease

K Sanachai, P Mahalapbutr… - The Journal of …, 2021 - ACS Publications
Global public health has been a critical problem by the sudden increase of the COVID-19
outbreak. The papain-like protease (PLpro) of SARS-CoV-2 is a key promising target for …

Structure-Based Design of Potent Peptidomimetic Inhibitors Covalently Targeting SARS-CoV-2 Papain-like Protease

Q Wang, G Chen, J He, J Li, M Xiong, H Su… - International Journal of …, 2023 - mdpi.com
The papain-like protease (PLpro) of severe acute respiratory syndrome coronavirus 2
(SARS-CoV-2) plays a critical role in the proteolytic processing of viral polyproteins and the …

Repurposing known drugs as covalent and non-covalent inhibitors of the SARS-CoV-2 papain-like protease

P Delre, F Caporuscio, M Saviano… - Frontiers in …, 2020 - frontiersin.org
In the absence of an approved vaccine, developing effective severe acute respiratory
syndrome coronavirus 2 (SARS-CoV-2) antivirals is essential to tackle the current pandemic …

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 …

Modeling of noncovalent inhibitors of the papain-like protease (PLpro) from SARS-CoV-2 considering the protein flexibility by using molecular dynamics and cross …

JL Valdés-Albuernes, E Díaz-Pico, S Alfaro… - Frontiers in Molecular …, 2024 - frontiersin.org
The papain-like protease (PLpro) found in coronaviruses that can be transmitted from
animals to humans is a critical target in respiratory diseases linked to Severe Acute …

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

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] 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 - Elsevier
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 …

Large-scale virtual screening for the discovery of SARS-CoV-2 papain-like protease (PLpro) non-covalent inhibitors

O Garland, AT Ton, S Moradi, JR Smith… - Journal of Chemical …, 2023 - ACS Publications
The rapid global spread of the SARS-CoV-2 virus facilitated the development of novel direct-
acting antiviral agents (DAAs). The papain-like protease (PLpro) has been proposed as one …