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In Silico and In Vitro Inhibition of SARS-CoV-2 PLpro with Gramicidin D
dc.creator | Protić, Sara | |
dc.creator | Kaličanin, Nevena | |
dc.creator | Sencanski, Milan | |
dc.creator | Prodanović, Olivera | |
dc.creator | Milicevic, Jelena | |
dc.creator | Perovic, Vladimir | |
dc.creator | Paessler, Slobodan | |
dc.creator | Prodanović, Radivoje | |
dc.creator | Glisic, Sanja | |
dc.date.accessioned | 2023-03-07T11:29:12Z | |
dc.date.available | 2023-03-07T11:29:12Z | |
dc.date.issued | 2023 | |
dc.identifier.issn | 1422-0067 | |
dc.identifier.uri | http://rimsi.imsi.bg.ac.rs/handle/123456789/1796 | |
dc.description.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 | sr |
dc.language.iso | en | sr |
dc.publisher | Multidisciplinary Digital Publishing Institute (MDPI) | sr |
dc.relation | info:eu-repo/grantAgreement/ScienceFundRS/Fond_2020_COVID19/7551100/RS// | sr |
dc.rights | restrictedAccess | sr |
dc.rights.uri | https://creativecommons.org/licenses/by/4.0/ | |
dc.source | International Journal of Molecular Sciences | sr |
dc.subject | anti SARS-CoV-2 | sr |
dc.subject | PLpro | sr |
dc.subject | COVID-19 | sr |
dc.subject | gramicidin D | sr |
dc.subject | PLpro candidate inhibitor | sr |
dc.title | In Silico and In Vitro Inhibition of SARS-CoV-2 PLpro with Gramicidin D | sr |
dc.type | article | sr |
dc.rights.license | BY | sr |
dc.citation.issue | 3 | |
dc.citation.spage | 1955 | |
dc.citation.volume | 24 | |
dc.identifier.doi | 10.3390/ijms24031955 | |
dc.type.version | publishedVersion | sr |