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 . .