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https://dspace.ffh.bg.ac.rs/handle/123456789/534| Title: | Structural, antimicrobial, and molecular docking study of 3-(1-(4-hydroxyphenyl)amino) ethylidene)chroman-2,4-dione and its corresponding Pd complex | Authors: | Avdovic, Edina H. Dimić, Dušan Milanovic, Ziko B. Radulovic, Milanka Stanojevic Pirkovic, Marijana |
Keywords: | antimicrobial activity;coumarin;DFT;molecular docking;NBO | Issue Date: | 1-Jan-2021 | Journal: | BIBE 2021 - 21st IEEE International Conference on BioInformatics and BioEngineering, Proceedings | Abstract: | Synthetic coumarins are a class of compounds with promising biological functions. The structure of the 4-hydroxycoumarin derivative, 3-(1-(4-hydroxyphenyl)amino) ethylidene) chroman-2,4-dione, and its corresponding Pd complex, are described in this contribution. Inter- and intramolecular interactions governing stability were analyzed by the Natural Bond Orbital and Quantum Theory of Atoms in Molecules approaches. The antimicrobial activity towards several microorganisms was assessed and differences in activity towards Escherichia coli DNA Gyrase B enzyme were investigated by molecular docking. |
URI: | https://dspace.ffh.bg.ac.rs/handle/123456789/534 | ISBN: | 9781665442619 | DOI: | 10.1109/BIBE52308.2021.9635500 |
| Appears in Collections: | Conference paper |
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