1,2,3-triazole derivative: Synthesis,characterization, DFT,molecular docking study and antibacterial-antileishmanial activities |
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| Affiliation: | 1. Department of Chemistry, Faculty of Sciences, Karadeniz Technical University, 61080 Trabzon, Turkey;2. Department of Mathematics and Science Education, Educational Faculty, Ondokuz Mayıs University, 55139 Kurupelit, Samsun, Turkey;3. Vocational School of Technical Sciences, Gazi University, 06374 Ostim, Ankara, Turkey;4. Department of Medical Microbiology, Faculty of Medicine, Giresun University, 28100 Giresun, Turkey;5. Department of Molecular Biology and Genetics, Karadeniz Technical University Faculty of Science, 61080-Trabzon, Turkey |
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| Abstract: | In this study, 4-((1-(4-chlorobenzyl)-1H-1,2,3-triazole-4-yl)methoxy)-3-methoxybenzaldehyde (I) was synthesized and molecular structure of compound I was confirmed by FTIR and NMR (1H and 13C NMR) spectroscopic methods. The geometric structure of compound I was optimized by DFT/B3LYP method using 6–311++G(d, p) basis set. The molecular docking study was carried out against six different proteins. The antibacterial and antileishmanial activities of compound I were tested by microdilution broth with Alamar blue method and minimum inhibitor concentrations (MIC) were determined. According to the test results, it was found to be effective against eleven types of bacteria at different concentrations (MIC: 312–5000 μg/mL). In addition, compound I was not effective against leishmania species at the concentrations that were examined. |
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| Keywords: | 1,2,3-triazole FTIR-NMR spectroscopy DFT calculations Antimicrobial activity Molecular docking study |
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