[HTML][HTML] Proteases of SARS Coronaviruses

R Mukherjee, I Dikic - Encyclopedia of Cell Biology, 2023 - ncbi.nlm.nih.gov
Coronaviruses such as SARS and SARS-CoV-2 have established themselves as a global
health concern after causing an epidemic and a pandemic in the last twenty years …

[HTML][HTML] Discovery of the cryptic sites of SARS-CoV-2 papain-like protease and analysis of its druggability

Y Qiu, Q Liu, G Tu, XJ Yao - International Journal of Molecular Sciences, 2022 - mdpi.com
In late 2019, a new coronavirus (CoV) caused the outbreak of a deadly respiratory disease,
resulting in the COVID-19 pandemic. In view of the ongoing pandemic, there is an …

[HTML][HTML] Hydrazones and thiosemicarbazones targeting protein-protein-interactions of SARS-CoV-2 papain-like protease

W Ewert, S Günther, F Miglioli, S Falke… - Frontiers in …, 2022 - frontiersin.org
The papain-like protease (PLpro) of SARS-CoV-2 is essential for viral propagation and,
additionally, dysregulation of the host innate immune system. Using a library of 40 potential …

Identification and evaluation of antiviral activity of novel compounds targeting SARS-CoV-2 virus by enzymatic and antiviral assays, and computational analysis

I Nemčovičová, K Lopušná, I Štibrániová… - Journal of Enzyme …, 2024 - Taylor & Francis
The viral genome of the SARS-CoV-2 coronavirus, the aetiologic agent of COVID-19,
encodes structural, non-structural, and accessory proteins. Most of these components …

Discovery of SARS-CoV-2 papain-like protease (PLpro) inhibitors with efficacy in a murine infection model

MR Garnsey, MC Robinson, LT Nguyen, R Cardin… - bioRxiv, 2024 - biorxiv.org
Vaccines and first-generation antiviral therapeutics have provided important protection
against coronavirus disease 2019 (COVID-19) caused by severe acute respiratory …

[HTML][HTML] Entropy driven cooperativity effect in multi-site drug optimization targeting SARS-CoV-2 papain-like protease

L Duan, B Tang, S Luo, D Xiong, Q Wang, X Xu… - Cellular and Molecular …, 2023 - Springer
Abstract Papain-like protease (PLpro), a non-structural protein encoded by SARS-CoV-2, is
an important therapeutic target. Regions 1 and 5 of an existing drug, GRL0617, can be …

Synthesis and Evaluation of 9-Aminoacridines with SARS-CoV-2 Antiviral Activity

T Jones, N Monakhova, F Guivel-Benhassine… - ACS …, 2023 - ACS Publications
There have been relatively few small molecules developed with direct activity against the
severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). Two existing antimalarial …

Active learning guided drug design lead optimization based on relative binding free energy modeling

F Gusev, E Gutkin, MG Kurnikova, O Isayev - 2022 - chemrxiv.org
In silico identification of potent protein inhibitors commonly requires prediction of a ligand
binding free energy (BFE). Thermodynamics integration (TI) based on molecular dynamics …

Applying the bioisosterism strategy to obtain lead compounds against SARS‐CoV‐2 cysteine proteases: An in‐silico approach

JRBM Borba, LP de Araújo, MP Veloso… - Journal of …, 2024 - Wiley Online Library
SARS‐CoV‐2 cysteine proteases are essential nonstructural proteins due to their role in the
formation of the virus multiple enzyme replication‐transcription complex. As a result, those …

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 …