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
… for drug development that leverage cooperativity by reducing … pneumonia (COVID-19),
triggered by SARS-CoV-2, has had … that targeting PLpro with drugs not only inhibits SARS-CoV-2 …
triggered by SARS-CoV-2, has had … that targeting PLpro with drugs not only inhibits SARS-CoV-2 …
Inhibitor induced conformational changes in SARS-COV-2 papain-like protease
… limited use against COVID-19 4,5 . However, the emergence of … a cornerstone when
designing novel antiviral drugs 6 . … MD simulations of the SARS-CoV-2 PL pro . Each analyzed …
designing novel antiviral drugs 6 . … MD simulations of the SARS-CoV-2 PL pro . Each analyzed …
[HTML][HTML] A strategy for evaluating antiviral resistance: Application to small molecule drugs/inhibitors against SARS-CoV-2
K Sargsyan, K Mazmanian, C Lim - 2022 - europepmc.org
… in most countries following the COVID-19 pandemic, our generic … We underscore those
SARS-CoV-2 M pro , PL pro , and … early stages of antiviral drug design by extracting evolutionary …
SARS-CoV-2 M pro , PL pro , and … early stages of antiviral drug design by extracting evolutionary …
Report of the national institutes of health SARS-CoV-2 antiviral therapeutics summit
MD Hall, JM Anderson, A Anderson… - The Journal of …, 2021 - academic.oup.com
… development of antivirals for the treatment of COVID-19, in … with activity against RNA viruses
that may be leveraged as a … methods to SARS-CoV-2 3CLpro and PLpro with a collaborative …
that may be leveraged as a … methods to SARS-CoV-2 3CLpro and PLpro with a collaborative …
P188g Mutation Enhances Pyrrolysyl-tRNA Synthetase Activity and Stabilizes Full-Length Protein and Discovering Drugs Against SARS-CoV-2 Mpro and PLpro
CC Cho - 2022 - search.proquest.com
… a binding mode for this inhibitor to PL pro distinct from other … -based inhibitors designed
based on the peptide substrate of … inhibits PLpro will be very useful as a treatment for COVID-19. …
based on the peptide substrate of … inhibits PLpro will be very useful as a treatment for COVID-19. …
Mechanistic Insights into the Mutational Landscape of the Main Protease/3CLPro and Its Impact on Long-Term COVID-19/SARS-CoV-2 Management
AGA Mushebenge, SC Ugbaja, NN Magwaza… - 2024 - preprints.org
… inhibitors and treatment options for the MPro of SARS-CoV-2 … understand the implications of
PLpro mutations on viral pathogenicity … By fostering international cooperation and leveraging …
PLpro mutations on viral pathogenicity … By fostering international cooperation and leveraging …
[HTML][HTML] … with comparative molecular docking and molecular dynamics for identification of marine natural products as SARS-CoV-2 papain-like protease inhibitors
N Thangavel, M Albratty - Arabian Journal of Chemistry, 2022 - Elsevier
… a lot due to massive COVID-19 vaccination programs. Drug … for any ligand to leverage binding
to multiple sites on PLpro. Four … The compounds designed by this research group failed to …
to multiple sites on PLpro. Four … The compounds designed by this research group failed to …
Potent anti-SARS-CoV-2 activity by the natural product gallinamide A and analogues via inhibition of cathepsin L
AS Ashhurst, AH Tang, P Fajtová… - Journal of medicinal …, 2021 - ACS Publications
… A could be leveraged for SARS-CoV-2 antiviral activity. … potential of CatL as a COVID-19
antiviral target and the likely … at 10 μM for inhibition against SARS-CoV-2 Mpro and PLpro. …
antiviral target and the likely … at 10 μM for inhibition against SARS-CoV-2 Mpro and PLpro. …
Potent in vitro anti-SARS-CoV-2 activity by gallinamide A and analogues via inhibition of cathepsin L
… potential of cathepsin L as a COVID-19 antiviral drug target. … A could be leveraged for
SARS-CoV-2 antiviral activity. … at 10 μM for inhibition against SARS-CoV-2 Mpro and PLpro. …
SARS-CoV-2 antiviral activity. … at 10 μM for inhibition against SARS-CoV-2 Mpro and PLpro. …
[HTML][HTML] In Silico Exploration of Efficacious Inhibitors for SARS-CoV-2's Papain-like Protease
… ) of SARS-CoV-2 could be quickly repurposed for COVID-19. For … to find efficacious inhibitors
for SARS-CoV-2’s PLpro, we … In summary, leveraging our powerful HPC cluster, we applied …
for SARS-CoV-2’s PLpro, we … In summary, leveraging our powerful HPC cluster, we applied …