NEW IMIN DERIVATIVES: ANTIMICROBIAL ACTIVITY, MOLECULAR DOCKING - Karakurt, Tuncay;Özbek, Neslihan
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In this study, compounds 2,2'-(piperazine-1,4-diyl)bis(N'-((E)-1-(2-hydroxy-4-methoxyphenyl)ethylidene)acetohydrazide and 2,2'-(piperazine-1,4-diyl)bis(N'-((E)-1-(2-hydroxy-5-methoxyphenyl)ethylidene)acetohydrazide) were synthesized and their molecular structures were characterized using spectroscopic methods such as 1H-NMR and 13C-NMR. In addition to experimental studies, geometric optimizations of molecular structures, molecular electrostatic potential maps, Fukui functions, NMR spectroscopic properties were investigated using the Density Functional Theory (DFT), one of the computational…mehr

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Produktbeschreibung
In this study, compounds 2,2'-(piperazine-1,4-diyl)bis(N'-((E)-1-(2-hydroxy-4-methoxyphenyl)ethylidene)acetohydrazide and 2,2'-(piperazine-1,4-diyl)bis(N'-((E)-1-(2-hydroxy-5-methoxyphenyl)ethylidene)acetohydrazide) were synthesized and their molecular structures were characterized using spectroscopic methods such as 1H-NMR and 13C-NMR. In addition to experimental studies, geometric optimizations of molecular structures, molecular electrostatic potential maps, Fukui functions, NMR spectroscopic properties were investigated using the Density Functional Theory (DFT), one of the computational chemistry methods, the B3LYP theorem and the 6-311G(d, p) base set. Molecular docking and simulation studies were carried out to investigate the inhibitory activities against the 6j7l receptor of Escherichia coli organism in order to determine that the synthesized compounds could show biological activities against bacteria.
Autorenporträt
Tuncay Karakurt was born in Bayburt in 1977. He finished high school in Samsun. He graduated from the physics depeatment of Ondokuz May¿s University in 1999. He recevied his PhD at Ondokuz May¿s University in 2012. He has been working at K¿r¿ehir Ahi Evran Universty as Associate Professor Since 2020. He has two kids.