TY  - JOUR
AU  - Špirtović-Halilović, Selma
AU  - Veljović, Elma
AU  - Salihović, Mirsada
AU  - Osmanović, Amar
AU  - Šapčanin, Aida
AU  - Softić, Dženita
AU  - Roca, Sunčica
AU  - Trifunović, Snežana S.
AU  - Škrijelj, Nihada
AU  - Škrbo, Selma
AU  - Selmanagić, Aida
AU  - Završnik, Davorka
PY  - 2020
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/4144
AB  - Four 4-hydroxycoumarin derivatives were synthesized and the structure was confirmed by NMR spectroscopy and Mass spectrometry. Tested compounds have shown significant antimicrobial activity against Bacillus subtilis subsp. spizizenii, Bacillus cereus, Staphylococcus aureus, and Staphylococcus epidermidis, and the effect of more halogens on the benzene nucleus, as well as the combination of halogen and alkyl groups, on the antimicrobial activity, was investigated.
According to the docking study, these compounds can operate simultaneously on two enzymes, amylase and gyrase (1BAG and 1KZN), which are known to play an important role in bacterial life. Obtained docking study parameters for tested compounds showed an association with the in vitro results of the antimicrobial activity of these compounds. In silico tests of molecular properties of the tested compounds showed that the compounds met Lipinski's rule of five. In this paper, the ADME parameters of tested compounds were also calculated: Caco2 (in vitro Caco2 cell permeability), HIA (human intestinal absorption), MDCK (in vitro Mandin Darby Canine Kidney (MDCK) cell permeability), TPSA (topological polar surface area), etc.
PB  - Zagreb : Croatian Chemical Society
T2  - Croatica Chemica Acta
T1  - Synthesis, Microbiological Activity and In Silico Investigation for Some Synthesized Coumarin Derivatives
VL  - 93
IS  - 1
SP  - P1
EP  - P9
DO  - 10.5562/cca3637
ER  - 

@article{
author = "Špirtović-Halilović, Selma and Veljović, Elma and Salihović, Mirsada and Osmanović, Amar and Šapčanin, Aida and Softić, Dženita and Roca, Sunčica and Trifunović, Snežana S. and Škrijelj, Nihada and Škrbo, Selma and Selmanagić, Aida and Završnik, Davorka",
year = "2020",
abstract = "Four 4-hydroxycoumarin derivatives were synthesized and the structure was confirmed by NMR spectroscopy and Mass spectrometry. Tested compounds have shown significant antimicrobial activity against Bacillus subtilis subsp. spizizenii, Bacillus cereus, Staphylococcus aureus, and Staphylococcus epidermidis, and the effect of more halogens on the benzene nucleus, as well as the combination of halogen and alkyl groups, on the antimicrobial activity, was investigated.
According to the docking study, these compounds can operate simultaneously on two enzymes, amylase and gyrase (1BAG and 1KZN), which are known to play an important role in bacterial life. Obtained docking study parameters for tested compounds showed an association with the in vitro results of the antimicrobial activity of these compounds. In silico tests of molecular properties of the tested compounds showed that the compounds met Lipinski's rule of five. In this paper, the ADME parameters of tested compounds were also calculated: Caco2 (in vitro Caco2 cell permeability), HIA (human intestinal absorption), MDCK (in vitro Mandin Darby Canine Kidney (MDCK) cell permeability), TPSA (topological polar surface area), etc.",
publisher = "Zagreb : Croatian Chemical Society",
journal = "Croatica Chemica Acta",
title = "Synthesis, Microbiological Activity and In Silico Investigation for Some Synthesized Coumarin Derivatives",
volume = "93",
number = "1",
pages = "P1-P9",
doi = "10.5562/cca3637"
}

Špirtović-Halilović, S., Veljović, E., Salihović, M., Osmanović, A., Šapčanin, A., Softić, D., Roca, S., Trifunović, S. S., Škrijelj, N., Škrbo, S., Selmanagić, A.,& Završnik, D.. (2020). Synthesis, Microbiological Activity and In Silico Investigation for Some Synthesized Coumarin Derivatives. in Croatica Chemica Acta
Zagreb : Croatian Chemical Society., 93(1), P1-P9.
https://doi.org/10.5562/cca3637

Špirtović-Halilović S, Veljović E, Salihović M, Osmanović A, Šapčanin A, Softić D, Roca S, Trifunović SS, Škrijelj N, Škrbo S, Selmanagić A, Završnik D. Synthesis, Microbiological Activity and In Silico Investigation for Some Synthesized Coumarin Derivatives. in Croatica Chemica Acta. 2020;93(1):P1-P9.
doi:10.5562/cca3637 .

Špirtović-Halilović, Selma, Veljović, Elma, Salihović, Mirsada, Osmanović, Amar, Šapčanin, Aida, Softić, Dženita, Roca, Sunčica, Trifunović, Snežana S., Škrijelj, Nihada, Škrbo, Selma, Selmanagić, Aida, Završnik, Davorka, "Synthesis, Microbiological Activity and In Silico Investigation for Some Synthesized Coumarin Derivatives" in Croatica Chemica Acta, 93, no. 1 (2020):P1-P9,
https://doi.org/10.5562/cca3637 . .