TY  - JOUR
AU  - Spirtović-Halilović, Selma
AU  - Salihović, Mirsada
AU  - Osmanović, Amar
AU  - Veljović, Elma
AU  - Rahić, O.
AU  - Mahmutović, E.
AU  - Hadziabdi, J.
AU  - Novaković, Irena
AU  - Roca, S.
AU  - Trifunović, Snežana
AU  - Elezović, Alisa
AU  - Glamoclija, Una
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7043
AB  - In the reaction of 3-aminothymoquinone and aromatic aldehydes, two benzoxazole derivatives viz. 2-(4-methoxyphenyl)-4-methyl-7-isopropyl-1,3-benzoxazol-5-ol (1) and 2-(4-trifluoromethyl)-4-methyl-7-isopropyl-1,3-benzoxazol-5-ol (2) were prepared and characterized by elemental analysis, infrared and 1H, and 13C-nuclear magnetic resonance spectroscopy and mass spectrometry. Their antimicrobial activity against Escherichia coli, Salmonella enterica, Proteus hauseri, Pseudomonas aeruginosa, Staphylococcus aureus, Sarcina lutea, Clostridium sporogenes and Bacillus subtilis was tested. Synthesized compounds show the best activity on Sarcina lutea, and the lowest against Proteus hauseri and Clostridium sporogenes. The paper assesses in silico methods of the possible ways selected derivatives bind to the enzyme deoxyribonucleic acid gyrase (1KZN). The docking results were compared with those obtained from in vitro antimicrobial activity. Molecular properties and absorption, distribution, metabolism and excretion parameters were also calculated for compounds. The difference in the obtained values reflects differences in the derivatives structures. In the future, tests on a number of enzymes crucial for bacterial life as well as a number of derivatives may offer further information on the mechanisms of action of these substances.
PB  - Indian Pharmaceutical Association - IPA
T2  - Indian Journal of Pharmaceutical Sciences
T1  - In Silico Study of Microbiologically Active Benzoxazole Derivatives
VL  - 85
IS  - 3
SP  - 767
EP  - 777
DO  - 10.36468/pharmaceutical-sciences.1143
ER  - 

@article{
author = "Spirtović-Halilović, Selma and Salihović, Mirsada and Osmanović, Amar and Veljović, Elma and Rahić, O. and Mahmutović, E. and Hadziabdi, J. and Novaković, Irena and Roca, S. and Trifunović, Snežana and Elezović, Alisa and Glamoclija, Una",
year = "2023",
abstract = "In the reaction of 3-aminothymoquinone and aromatic aldehydes, two benzoxazole derivatives viz. 2-(4-methoxyphenyl)-4-methyl-7-isopropyl-1,3-benzoxazol-5-ol (1) and 2-(4-trifluoromethyl)-4-methyl-7-isopropyl-1,3-benzoxazol-5-ol (2) were prepared and characterized by elemental analysis, infrared and 1H, and 13C-nuclear magnetic resonance spectroscopy and mass spectrometry. Their antimicrobial activity against Escherichia coli, Salmonella enterica, Proteus hauseri, Pseudomonas aeruginosa, Staphylococcus aureus, Sarcina lutea, Clostridium sporogenes and Bacillus subtilis was tested. Synthesized compounds show the best activity on Sarcina lutea, and the lowest against Proteus hauseri and Clostridium sporogenes. The paper assesses in silico methods of the possible ways selected derivatives bind to the enzyme deoxyribonucleic acid gyrase (1KZN). The docking results were compared with those obtained from in vitro antimicrobial activity. Molecular properties and absorption, distribution, metabolism and excretion parameters were also calculated for compounds. The difference in the obtained values reflects differences in the derivatives structures. In the future, tests on a number of enzymes crucial for bacterial life as well as a number of derivatives may offer further information on the mechanisms of action of these substances.",
publisher = "Indian Pharmaceutical Association - IPA",
journal = "Indian Journal of Pharmaceutical Sciences",
title = "In Silico Study of Microbiologically Active Benzoxazole Derivatives",
volume = "85",
number = "3",
pages = "767-777",
doi = "10.36468/pharmaceutical-sciences.1143"
}

Spirtović-Halilović, S., Salihović, M., Osmanović, A., Veljović, E., Rahić, O., Mahmutović, E., Hadziabdi, J., Novaković, I., Roca, S., Trifunović, S., Elezović, A.,& Glamoclija, U.. (2023). In Silico Study of Microbiologically Active Benzoxazole Derivatives. in Indian Journal of Pharmaceutical Sciences
Indian Pharmaceutical Association - IPA., 85(3), 767-777.
https://doi.org/10.36468/pharmaceutical-sciences.1143

Spirtović-Halilović S, Salihović M, Osmanović A, Veljović E, Rahić O, Mahmutović E, Hadziabdi J, Novaković I, Roca S, Trifunović S, Elezović A, Glamoclija U. In Silico Study of Microbiologically Active Benzoxazole Derivatives. in Indian Journal of Pharmaceutical Sciences. 2023;85(3):767-777.
doi:10.36468/pharmaceutical-sciences.1143 .

Spirtović-Halilović, Selma, Salihović, Mirsada, Osmanović, Amar, Veljović, Elma, Rahić, O., Mahmutović, E., Hadziabdi, J., Novaković, Irena, Roca, S., Trifunović, Snežana, Elezović, Alisa, Glamoclija, Una, "In Silico Study of Microbiologically Active Benzoxazole Derivatives" in Indian Journal of Pharmaceutical Sciences, 85, no. 3 (2023):767-777,
https://doi.org/10.36468/pharmaceutical-sciences.1143 . .

TY  - JOUR
AU  - Salihović, Mirsada
AU  - Pazalja, Mirha
AU  - Šapčanin, Aida
AU  - Dojčinović, Biljana
AU  - Špirtović Halilović, Selma
PY  - 2021
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/5290
AB  - The content of macro- and microelements in dry samples of mushrooms of the species Macrolepiota

procera, Boletus edulis and Cantharellus cibarius, collected at different areas in Bosnia and Herzegovina, was de-
termined using the ICP-OES method (inductively coupled plasma optical emission spectrometry). Of the macro-
elements, K is the most represented, followed by S, P, Mg, and the least represented Ca and Na. Zn is the most

represented of the essential microelements, followed by Fe, Se, Cu, Mn and Co. Al is the most abundant of the other
trace elements followed by Ni and Cr. Of the toxic metals, the most represented is Cd, followed by Pb and As. There
are differences in the concentration of micro- and macroelements in the mushrooms analysed, depending on the
area from which they were collected because natural geology and geochemistry influence the content of macro- and
microelements in wild edible mushrooms. The results show that the analysed mushrooms can be considered a good
source of essential elements. The study also assessed potential health risks of heavy metals and the target hazard
quotient (THQ) for As, Cd, Pb, Cu, Zn, Ni and Cr in the analysed mushrooms was lower than the safe level. The
carcinogenic risk index revealed that Cd and Ni are the most prevalent pollutants in the mushrooms studied.
PB  - Czech Academy of Agricultural Science
T2  - Plant, Soil and Environment
T1  - Element contents and health risk assessment in wild edible mushrooms of Bosnia and Herzegovina
VL  - 67
IS  - 11
SP  - 668
EP  - 677
DO  - 10.17221/423/2021-PSE
ER  - 

@article{
author = "Salihović, Mirsada and Pazalja, Mirha and Šapčanin, Aida and Dojčinović, Biljana and Špirtović Halilović, Selma",
year = "2021",
abstract = "The content of macro- and microelements in dry samples of mushrooms of the species Macrolepiota

procera, Boletus edulis and Cantharellus cibarius, collected at different areas in Bosnia and Herzegovina, was de-
termined using the ICP-OES method (inductively coupled plasma optical emission spectrometry). Of the macro-
elements, K is the most represented, followed by S, P, Mg, and the least represented Ca and Na. Zn is the most

represented of the essential microelements, followed by Fe, Se, Cu, Mn and Co. Al is the most abundant of the other
trace elements followed by Ni and Cr. Of the toxic metals, the most represented is Cd, followed by Pb and As. There
are differences in the concentration of micro- and macroelements in the mushrooms analysed, depending on the
area from which they were collected because natural geology and geochemistry influence the content of macro- and
microelements in wild edible mushrooms. The results show that the analysed mushrooms can be considered a good
source of essential elements. The study also assessed potential health risks of heavy metals and the target hazard
quotient (THQ) for As, Cd, Pb, Cu, Zn, Ni and Cr in the analysed mushrooms was lower than the safe level. The
carcinogenic risk index revealed that Cd and Ni are the most prevalent pollutants in the mushrooms studied.",
publisher = "Czech Academy of Agricultural Science",
journal = "Plant, Soil and Environment",
title = "Element contents and health risk assessment in wild edible mushrooms of Bosnia and Herzegovina",
volume = "67",
number = "11",
pages = "668-677",
doi = "10.17221/423/2021-PSE"
}

Salihović, M., Pazalja, M., Šapčanin, A., Dojčinović, B.,& Špirtović Halilović, S.. (2021). Element contents and health risk assessment in wild edible mushrooms of Bosnia and Herzegovina. in Plant, Soil and Environment
Czech Academy of Agricultural Science., 67(11), 668-677.
https://doi.org/10.17221/423/2021-PSE

Salihović M, Pazalja M, Šapčanin A, Dojčinović B, Špirtović Halilović S. Element contents and health risk assessment in wild edible mushrooms of Bosnia and Herzegovina. in Plant, Soil and Environment. 2021;67(11):668-677.
doi:10.17221/423/2021-PSE .

Salihović, Mirsada, Pazalja, Mirha, Šapčanin, Aida, Dojčinović, Biljana, Špirtović Halilović, Selma, "Element contents and health risk assessment in wild edible mushrooms of Bosnia and Herzegovina" in Plant, Soil and Environment, 67, no. 11 (2021):668-677,
https://doi.org/10.17221/423/2021-PSE . .

TY  - JOUR
AU  - Salihović, Mirsada
AU  - Pazalja, Mirha
AU  - Špirtović Halilović, Selma
AU  - Veljović, Elma
AU  - Mahmutović-Dizdarević, Irma
AU  - Roca, Sunčica
AU  - Novaković, Irena
AU  - Trifunović, Snežana
PY  - 2021
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/4690
AB  - Two new Schiff bases derived from L-cysteine and substituted benzaldehyde were synthesized: the compound 1 [2-((2-chlorobenzylidene) amino)-3-mercaptopropanoic acid] and the compound 2 [3-mercapto-2-((2-methoxybenzylidene) amino) propanoic acid]. Their structures were confirmed by experimental FT-IR, NMR (1H, 13C), and theoretical methodology DFT (density functional theory). DFT calculations were based on global chemical reactivity indices calculated using the B3LYP/6–31G*, B3LYP/6–31G**, and B3LYP/6–31+G* theory levels. Experimentally and theoretically obtained values for FT-IR and NMR (1H, 13C) of test compounds showed good agreement. The reactivity descriptors of B3LYP (E, EHOMO, ELUMO, dipole moment, ∆ɛ, μ, η, ω) were calculated to predict the stability of newly synthesized compounds. The microbiological activity of the compounds was tested on several Gram-positive bacteria: Staphylococcus aureus, Bacillus subtilis, Clostridium sporogenes, Microccocus luteus and Microccocus flavus. The following Gram-negative bacteria were used to test the compounds: Escherichia coli, Pseudomonas aeruginosa Proteus hauseri, Klebsiella pneumoniae, Salmonella enterica subsp. enterica serovar Enteritidis. Also, the activity on the following yeasts was examined: Candida albicans, Saccharomyces cerevisiae and fungal strain Aspergillus brasilliensis. The Schiff base with chlorine in the structure (the compound 1) has the best antimicrobial action against all tested microorganisms. The selected quantum chemical descriptors calculated for the compounds 1 and 2 have a close relationship with the antimicrobial activity.
PB  - Elsevier
T2  - Journal of Molecular Structure
T1  - Synthesis, characterization, antimicrobial activity and DFT study of some novel Schiff bases
VL  - 1241
SP  - 130670
DO  - 10.1016/j.molstruc.2021.130670
ER  - 

@article{
author = "Salihović, Mirsada and Pazalja, Mirha and Špirtović Halilović, Selma and Veljović, Elma and Mahmutović-Dizdarević, Irma and Roca, Sunčica and Novaković, Irena and Trifunović, Snežana",
year = "2021",
abstract = "Two new Schiff bases derived from L-cysteine and substituted benzaldehyde were synthesized: the compound 1 [2-((2-chlorobenzylidene) amino)-3-mercaptopropanoic acid] and the compound 2 [3-mercapto-2-((2-methoxybenzylidene) amino) propanoic acid]. Their structures were confirmed by experimental FT-IR, NMR (1H, 13C), and theoretical methodology DFT (density functional theory). DFT calculations were based on global chemical reactivity indices calculated using the B3LYP/6–31G*, B3LYP/6–31G**, and B3LYP/6–31+G* theory levels. Experimentally and theoretically obtained values for FT-IR and NMR (1H, 13C) of test compounds showed good agreement. The reactivity descriptors of B3LYP (E, EHOMO, ELUMO, dipole moment, ∆ɛ, μ, η, ω) were calculated to predict the stability of newly synthesized compounds. The microbiological activity of the compounds was tested on several Gram-positive bacteria: Staphylococcus aureus, Bacillus subtilis, Clostridium sporogenes, Microccocus luteus and Microccocus flavus. The following Gram-negative bacteria were used to test the compounds: Escherichia coli, Pseudomonas aeruginosa Proteus hauseri, Klebsiella pneumoniae, Salmonella enterica subsp. enterica serovar Enteritidis. Also, the activity on the following yeasts was examined: Candida albicans, Saccharomyces cerevisiae and fungal strain Aspergillus brasilliensis. The Schiff base with chlorine in the structure (the compound 1) has the best antimicrobial action against all tested microorganisms. The selected quantum chemical descriptors calculated for the compounds 1 and 2 have a close relationship with the antimicrobial activity.",
publisher = "Elsevier",
journal = "Journal of Molecular Structure",
title = "Synthesis, characterization, antimicrobial activity and DFT study of some novel Schiff bases",
volume = "1241",
pages = "130670",
doi = "10.1016/j.molstruc.2021.130670"
}

Salihović, M., Pazalja, M., Špirtović Halilović, S., Veljović, E., Mahmutović-Dizdarević, I., Roca, S., Novaković, I.,& Trifunović, S.. (2021). Synthesis, characterization, antimicrobial activity and DFT study of some novel Schiff bases. in Journal of Molecular Structure
Elsevier., 1241, 130670.
https://doi.org/10.1016/j.molstruc.2021.130670

Salihović M, Pazalja M, Špirtović Halilović S, Veljović E, Mahmutović-Dizdarević I, Roca S, Novaković I, Trifunović S. Synthesis, characterization, antimicrobial activity and DFT study of some novel Schiff bases. in Journal of Molecular Structure. 2021;1241:130670.
doi:10.1016/j.molstruc.2021.130670 .

Salihović, Mirsada, Pazalja, Mirha, Špirtović Halilović, Selma, Veljović, Elma, Mahmutović-Dizdarević, Irma, Roca, Sunčica, Novaković, Irena, Trifunović, Snežana, "Synthesis, characterization, antimicrobial activity and DFT study of some novel Schiff bases" in Journal of Molecular Structure, 1241 (2021):130670,
https://doi.org/10.1016/j.molstruc.2021.130670 . .