Synthesis, Microbiological Activity and In Silico Investigation for Some Synthesized Coumarin Derivatives
Аутори
Špirtović-Halilović, SelmaVeljović, Elma
Salihović, Mirsada
Osmanović, Amar
Šapčanin, Aida
Softić, Dženita
Roca, Sunčica
Trifunović, Snežana S.
Škrijelj, Nihada
Škrbo, Selma
Selmanagić, Aida
Završnik, Davorka
Чланак у часопису (Објављена верзија)
Метаподаци
Приказ свих података о документуАпстракт
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 calcul...ated: 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.
Извор:
Croatica Chemica Acta, 2020, 93, 1, P1-P9Издавач:
- Zagreb : Croatian Chemical Society
DOI: 10.5562/cca3637
ISSN: 0011-1643
WoS: 000586572000003
Scopus: 2-s2.0-85091476922
Колекције
Институција/група
Hemijski fakultet / Faculty of ChemistryTY - 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 . .