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Title: Synthesis, structural characterization, biological activity and molecular docking study of 4,7-dihydroxycoumarinmodified by aminophenol derivatives
Authors: Milanović, Žiko
Marković, Zoran
Dimic, Dusan
Klisuric, Olivera
Radojevic, Ivana
Šeklić, Dragana
Živanović, Marko
Dimitrić Marković, Jasmina
Radulović, Milanka
Avdović, Edina
Issue Date: 2021
Abstract: In the present manuscript, three different 4,7-dihydroxycoumarin derivatives were prepared and structurally characterized by crystallographic and spectroscopic techniques in combination with the B3LYP-D3BJ theoretical method. Cytotoxic and antimicrobial activities of investigated compounds were screened against different cell lines and microorganisms. HCT-116 cells were most sensitive to the 3-(1-(2-hydroxyphenyl)amino) ethylidene)-2,4-dioxochroman-7-yl acetate derivative, while the best antimicrobial activity against Bacillus subtilis ATCC 6633 was shown by 3-(1-(2- hydroxyphenyl)amino)ethylidene)-2,4-dioxochroman-7-yl acetate. The molecular docking study for all compounds with important epidermal growth factor receptors (EGFR) was performed. The results indicate that the largest contribution to the binding energy is through conventional hydrogen bonds.
Type: article
DOI: 10.5802/CRCHIM.68
ISSN: 1631-0748
SCOPUS: 2-s2.0-85106670229
Appears in Collections:Faculty of Science, Kragujevac
Institute for Information Technologies, Kragujevac

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