TY  - JOUR
AU  - Špirtović-Halilović, Selma
AU  - Salihovic, Mirsada
AU  - Dzudzevic-Cancar, Hurija
AU  - Trifunović, Snežana S.
AU  - Roca, Sunčica
AU  - Softic, Dzenita
AU  - Završnik, Davorka
PY  - 2014
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1772
AB  - In the present investigation, a series of coumarin-based compounds containing a chalcone moiety were studied for their in vitro and in silico properties. The DFT global chemical reactivity descriptors (chemical hardness, total energy, electronic chemical potential and electrophilicity) were calculated for four synthesized compounds and used to predict their relative stability and reactivity. The antibacterial activities of all compounds were screened against Bacillus subtilis (ATCC 6633) and Bacilli's cereus (ATCC 11778). The quantum-chemical calculations indicated that the antibacterial activity correlates well with chemical reactivity descriptors of the molecules.
PB  - Serbian Chemical Soc, Belgrade
T2  - Journal of the Serbian Chemical Society
T1  - DFT study and microbiology of some coumarin-based compounds containing a chalcone moiety
VL  - 79
IS  - 4
SP  - 435
EP  - 443
DO  - 10.2298/JSC130628077S
ER  - 

@article{
author = "Špirtović-Halilović, Selma and Salihovic, Mirsada and Dzudzevic-Cancar, Hurija and Trifunović, Snežana S. and Roca, Sunčica and Softic, Dzenita and Završnik, Davorka",
year = "2014",
abstract = "In the present investigation, a series of coumarin-based compounds containing a chalcone moiety were studied for their in vitro and in silico properties. The DFT global chemical reactivity descriptors (chemical hardness, total energy, electronic chemical potential and electrophilicity) were calculated for four synthesized compounds and used to predict their relative stability and reactivity. The antibacterial activities of all compounds were screened against Bacillus subtilis (ATCC 6633) and Bacilli's cereus (ATCC 11778). The quantum-chemical calculations indicated that the antibacterial activity correlates well with chemical reactivity descriptors of the molecules.",
publisher = "Serbian Chemical Soc, Belgrade",
journal = "Journal of the Serbian Chemical Society",
title = "DFT study and microbiology of some coumarin-based compounds containing a chalcone moiety",
volume = "79",
number = "4",
pages = "435-443",
doi = "10.2298/JSC130628077S"
}

Špirtović-Halilović, S., Salihovic, M., Dzudzevic-Cancar, H., Trifunović, S. S., Roca, S., Softic, D.,& Završnik, D.. (2014). DFT study and microbiology of some coumarin-based compounds containing a chalcone moiety. in Journal of the Serbian Chemical Society
Serbian Chemical Soc, Belgrade., 79(4), 435-443.
https://doi.org/10.2298/JSC130628077S

Špirtović-Halilović S, Salihovic M, Dzudzevic-Cancar H, Trifunović SS, Roca S, Softic D, Završnik D. DFT study and microbiology of some coumarin-based compounds containing a chalcone moiety. in Journal of the Serbian Chemical Society. 2014;79(4):435-443.
doi:10.2298/JSC130628077S .

Špirtović-Halilović, Selma, Salihovic, Mirsada, Dzudzevic-Cancar, Hurija, Trifunović, Snežana S., Roca, Sunčica, Softic, Dzenita, Završnik, Davorka, "DFT study and microbiology of some coumarin-based compounds containing a chalcone moiety" in Journal of the Serbian Chemical Society, 79, no. 4 (2014):435-443,
https://doi.org/10.2298/JSC130628077S . .