@article{
author = "Protić, Sara and Kaličanin, Nevena and Senćanski, Milan and Prodanović, Olivera and Milićević, Jelena and Perović, Vladimir and Paessler, Slobodan and Prodanović, Radivoje and Glišić, Sanja",
year = "2023",
abstract = "Finding an effective drug to prevent or treat COVID-19 is of utmost importance in tcurrent
pandemic. Since developing a new treatment takes a significant amount of time, drug repurposing
can be an effective option for achieving a rapid response. This study used a combined in silico virtual
screening protocol for candidate SARS-CoV-2 PLpro inhibitors. The Drugbank database was searched
first, using the Informational Spectrum Method for Small Molecules, followed by molecular docking.
Gramicidin D was selected as a peptide drug, showing the best in silico interaction profile with PLpro.
After the expression and purification of PLpro, gramicidin D was screened for protease inhibition
in vitro and was found to be active against PLpro. The current study’s findings are significant
because it is critical to identify COVID-19 therapies that are efficient, affordable, and have a favorable
safety profile.",
publisher = "Switzerland : Multidisciplinary Digital Publishing Institute (MDPI)",
journal = "International Journal of Molecular Sciences",
title = "In Silico and In Vitro Inhibition of SARS-CoV-2 PLpro with Gramicidin D",
volume = "24",
number = "3",
pages = "1955",
doi = "10.3390/ijms24031955"
}