Statine-based peptidomimetics as SARS-CoV-2 Papain-like protease inhibitors: in Silico and in vitro studies

Statine-based peptidomimetics as SARS-CoV-2 Papain-like protease inhibitors: in Silico and in vitro studies

Abstract We investigated statin-based peptidomimetic compounds as inhibitors of SARS-CoV-2 papain-like protease (PLpro) by in silico methods, including molecular docking/dynamic simulations and ADMET prediction, as well as enzymatic in vitro assays. Five compounds (LQMed 426, 428, 430, 431, and 432)...

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Main Authors: Raiane Dandara Pereira Pimentel, Priscila Goes Camargo, Pedro Henrique R. de A. Azevedo, Larissa Esteves Carvalho Constant, Stephany da Silva Costa, Diego Allonso, Carlos Rangel Rodrigues, Magaly Girão Albuquerque, Luiza R. S. Dias, Estela Maris F. Muri, Camilo Henrique da Silva Lima
Format: Article
Language:English
Published: Nature Portfolio 2025-07-01
Series:Scientific Reports
Subjects:
PLpro
CoViD-19
Statine
Inhibitors
Molecular Docking
Molecular dynamics
Online Access:https://doi.org/10.1038/s41598-025-11599-2
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https://doi.org/10.1038/s41598-025-11599-2

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