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  2. University of Kragujevac
  3. Institute for Information Technologies, Kragujevac
Please use this identifier to cite or link to this item: https://scidar.kg.ac.rs/handle/123456789/13784
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dc.rights.licenseopenAccess-
dc.contributor.authorĐorović Jovanović, Jelena-
dc.contributor.authorDimić, Dušan-
dc.contributor.authorStanojević Pirković, Marijana-
dc.contributor.authorJeremić, Svetlana-
dc.contributor.authorMilenković, Dejan-
dc.date.accessioned2021-12-09T10:40:16Z-
dc.date.available2021-12-09T10:40:16Z-
dc.date.issued2021-
dc.identifier.isbn9788682172017en_US
dc.identifier.urihttps://scidar.kg.ac.rs/handle/123456789/13784-
dc.description.abstractThe molecular docking study was performed with aim to examine the inhibitory potency of two selected cyclohexadiene derivatives (cis-(1S)-3-Fluoro-3,5-cyclohexadiene-1,2-diol (1), and 1,1'-(3,5-Cyclohexadiene-1,3-diyl)dibenzene (2)). The inhibitory potency of compounds 1 and 2 was investigated toward Urokinase Type Plasminogen Activator (uPa). For this purpose AutoDock 4.0 software was used. The thermodynamic parameters achieved from molecular docking simulations, free energy of binding (ΔGbind) and inhibition constant (Ki), are analyzed and discussed. The compound 2 shows better inhibitory potency through uPa, than compound 1.en_US
dc.publisherInstitute for Information Technologiesen_US
dc.rightsinfo:eu-repo/semantics/openAccess-
dc.rights.urihttps://creativecommons.org/licenses/by-nc-nd/4.0/-
dc.source1st International Conference on Chemo and BioInformatics, ICCBIKG 2021en_US
dc.subjectmolecular dockingen_US
dc.subjectcyclohexadiene derivativesen_US
dc.titleMOLECULAR DOCKING ANALYSES OF SOME CYCLOHEXADIENE DERIVATIVESen_US
dc.typeconferenceObjecten_US
dc.description.versionPublisheden_US
dc.identifier.doi10.46793/ICCBI21.423DJen_US
dc.type.versionPublishedVersionen_US
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