1,3-Disubstituted urea derivatives: Synthesis, antimicrobial activity evaluation and in silico studies

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dc.contributor.authorGunduz, Miyase Gozde
dc.contributor.authorUgur, Sumeyye Buran
dc.contributor.authorGuney, Funda
dc.contributor.authorOzkul, Ceren
dc.contributor.authorKrishna, Vagolu Siva
dc.contributor.authorKaya, Serdal
dc.contributor.authorSriram, Dharmarajan
dc.date.accessioned2024-02-23T14:02:13Z
dc.date.available2024-02-23T14:02:13Z
dc.date.issued2020
dc.departmentNEÜen_US
dc.description.abstractThe development of new antimicrobial compounds is in high demand to overcome the emerging drug resistance against infectious microbial pathogens. In the present study, we carried out the extensive antimicrobial screening of disubstituted urea derivatives. In addition to the classical synthesis of urea compounds by the reaction of amines and isocyanates, we also applied a new route including bromination, oxidation and azidination reactions, respectively, to convert 2-amino-3-methylpyridine to 1,3-disubstituted urea derivatives using various amines. The evaluation of antimicrobial activities against various bacterial strains, Candida albicans as well as Mycobacterium tuberculosis resulted in the discovery of new active molecules. Among them, two compounds, which have the lowest MIC values on Pseudomonas aeruginosa, were further evaluated for their inhibition capacities of biofilm formation. In order to evaluate their potential mechanism of biofilm inhibition, these two compounds were docked into the active site of LasR, which is the transcriptional regulator of bacterial signaling mechanism known as quorum sensing. Finally, the theoretical parameters of the bioactive molecules were calculated to establish their drug-likeness properties.en_US
dc.description.sponsorshipScientific and Technological Research Council of Turkey [115Z261]; Faculty of Pharmacy at Erciyes University; COST (European Cooperation in Science and Technology) Action [CA 15106]en_US
dc.description.sponsorshipSDD is indebted to the Scientific and Technological Research Council of Turkey (Grant No: 115Z261) and the Faculty of Pharmacy at Erciyes University for their financial support of this work. The authors would like to acknowledge the contribution of the COST (European Cooperation in Science and Technology) Action CA 15106. MGG is grateful to Prof. Dr. Gerhard Wolber, Freie Universitat Berlin, for providing the license for LigandScout 4.2.en_US
dc.identifier.doi10.1016/j.bioorg.2020.104104
dc.identifier.issn0045-2068
dc.identifier.issn1090-2120
dc.identifier.pmid32736149en_US
dc.identifier.scopus2-s2.0-85088633018en_US
dc.identifier.scopusqualityQ1en_US
dc.identifier.urihttps://doi.org/10.1016/j.bioorg.2020.104104
dc.identifier.urihttps://hdl.handle.net/20.500.12452/11637
dc.identifier.volume102en_US
dc.identifier.wosWOS:000565190700007en_US
dc.identifier.wosqualityQ1en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.indekslendigikaynakPubMeden_US
dc.language.isoenen_US
dc.publisherAcademic Press Inc Elsevier Scienceen_US
dc.relation.ispartofBioorganic Chemistryen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectAntibacterialen_US
dc.subjectTuberculosisen_US
dc.subjectAntifungalen_US
dc.subjectBiofilmen_US
dc.subjectMolecular Dockingen_US
dc.subjectQuorum Sensingen_US
dc.title1,3-Disubstituted urea derivatives: Synthesis, antimicrobial activity evaluation and in silico studiesen_US
dc.typeArticleen_US

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