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 …

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 …

SARS-CoV-2 papain-like protease potential inhibitors—in silico quantitative assessment

A Stasiulewicz, AW Maksymiuk, ML Nguyen… - International journal of …, 2021 - mdpi.com
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) encodes the papain-like
protease (PLpro). The protein not only plays an essential role in viral replication but also …

Potential COVID-19 papain-like protease PLpro inhibitors: repurposing FDA-approved drugs

VL Kouznetsova, A Zhang, M Tatineni, MA Miller… - PeerJ, 2020 - peerj.com
Using the crystal structure of SARS-CoV-2 papain-like protease (PL pro) as a template, we
developed a pharmacophore model of functional centers of the PL pro inhibitor-binding …

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 …

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 Covalent SARS-CoV-2 Papain-like Protease Inhibitors

B Tan, X Liang, A Ansari, P Jadhav, H Tan… - Journal of Medicinal …, 2024 - ACS Publications
The COVID-19 pandemic is caused by SARS-CoV-2, a highly transmissible and pathogenic
RNA betacoronavirus. Like other RNA viruses, SARS-CoV-2 continues to evolve with or …

[HTML][HTML] Pharmacophore model-aided virtual screening combined with comparative molecular docking and molecular dynamics for identification of marine natural …

N Thangavel, M Albratty - Arabian Journal of Chemistry, 2022 - Elsevier
Abstract Targeting SARS-CoV-2 papain-like protease using inhibitors is a suitable approach
for inhibition of virus replication and dysregulation of host anti-viral immunity. Engaging all …

Progress and challenges in targeting the SARS-CoV-2 papain-like protease

H Tan, Y Hu, P Jadhav, B Tan… - Journal of medicinal …, 2022 - ACS Publications
SARS-CoV-2 is the causative agent of the COVID-19 pandemic. The approval of vaccines
and small-molecule antivirals is vital in combating the pandemic. The viral polymerase …

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 …