Targeting SARS-CoV-2 nonstructural protein 3: function, structure, inhibition, and perspective in drug discovery

X Li, Y Song - Drug Discovery Today, 2023 - Elsevier
As a highly contagious human pathogen, severe acute respiratory syndrome-associated
coronavirus-2 (SARS-CoV-2) has infected billions of people worldwide with more than 6 …

[HTML][HTML] Diagnostic and therapeutic potential of protease inhibition

N Ćwilichowska, KW Świderska, A Dobrzyń… - Molecular Aspects of …, 2022 - Elsevier
Proteases are enzymes that hydrolyze peptide bonds in proteins and peptides; thus, they
control virtually all biological processes. Our understanding of protease function has …

[HTML][HTML] SARS-CoV-2 proteases Mpro and PLpro: Design of inhibitors with predicted high potency and low mammalian toxicity using artificial neural networks, ligand …

RS Tumskiy, AV Tumskaia, IN Klochkova… - Computers in Biology …, 2023 - Elsevier
The main (Mpro) and papain-like (PLpro) proteases are highly conserved viral proteins
essential for replication of the COVID-19 virus, SARS-COV-2. Therefore, a logical plan for …

Synthesis of SARS-CoV-2 M pro inhibitors bearing a cinnamic ester warhead with in vitro activity against human coronaviruses

A Citarella, D Moi, M Pedrini, H Pérez-Peña… - Organic & …, 2023 - pubs.rsc.org
COVID-19 now ranks among the most devastating global pandemics in history. The
causative virus, SARS-CoV-2, is a new human coronavirus (hCoV) that spreads among …

Insights into drug Repurposing, as well as specificity and compound properties of piperidine-based SARS-CoV-2 PLpro inhibitors

DJ Calleja, N Kuchel, BGC Lu, RW Birkinshaw… - Frontiers in …, 2022 - frontiersin.org
The COVID-19 pandemic continues unabated, emphasizing the need for additional antiviral
treatment options to prevent hospitalization and death of patients infected with SARS-CoV-2 …

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 …

Structure-based design of SARS-CoV-2 papain-like protease inhibitors

P Jadhav, B Huang, J Osipiuk, X Zhang, H Tan… - European Journal of …, 2024 - Elsevier
The COVID-19 pandemic is caused by SARS-CoV-2, an RNA virus with high transmissibility
and mutation rate. Given the paucity of orally bioavailable antiviral drugs to combat SARS …

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 …

[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 …

Identification, optimization, and biological evaluation of 3-O-β-chacotriosyl ursolic acid derivatives as novel SARS-CoV-2 entry inhibitors by targeting the prefusion …

H Li, C Cheng, S Shi, Y Wu, Y Gao, Z Liu, M Liu… - European Journal of …, 2022 - Elsevier
The COVID-19 pandemic generates a global threat to public health and continuously
emerging SARS-CoV-2 variants bring a great challenge to the development of both vaccines …