Please use this identifier to cite or link to this item: https://scidar.kg.ac.rs/handle/123456789/13784
Title: MOLECULAR DOCKING ANALYSES OF SOME CYCLOHEXADIENE DERIVATIVES
Authors: Đorović Jovanović, Jelena
Dimić, Dušan
Stanojević Pirković, Marijana
Jeremić, Svetlana
Milenković, Dejan
Issue Date: 2021
Abstract: The 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.
URI: https://scidar.kg.ac.rs/handle/123456789/13784
Type: conferenceObject
DOI: 10.46793/ICCBI21.423DJ
Appears in Collections:Institute for Information Technologies, Kragujevac

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