In Vitro and In Silico Evaluations of the Antileishmanial Activities of New Benzimidazole-Triazole Derivatives

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dc.contributor.authorEser M.
dc.contributor.authorÇavuş İ.
dc.date.accessioned2024-07-22T08:02:18Z
dc.date.available2024-07-22T08:02:18Z
dc.date.issued2023
dc.description.abstractBenzimidazole and triazole rings are important pharmacophores, known to exhibit various pharmacological activities in drug discovery. In this study, it was purposed to synthesize new benzimidazole-triazole derivatives and evaluate their antileishmanial activities. The targeted compounds (5a–5h) were obtained after five chemical reaction steps. The structures of the compounds were confirmed by spectral data. The possible in vitro antileishmanial activities of the synthesized compounds were evaluated against the Leishmania tropica strain. Further, molecular docking and dynamics were performed to identify the probable mechanism of activity of the test compounds. The findings revealed that compounds 5a, 5d, 5e, 5f, and 5h inhibited the growth of Leishmania tropica to various extents and had significant anti-leishmanial activities, even if some orders were higher than the reference drug Amphotericin B. On the other hand, compounds 5b, 5c, and 5g were found to be ineffective. Additionally, the results of in silico studies have presented the existence of some interactions between the compounds and the active site of sterol 14-alpha-demethylase, a biosynthetic enzyme that plays a critical role in the growth of the parasite. Therefore, it can be suggested that if the results obtained from this study are confirmed with in vivo findings, it may be possible to obtain some new anti-leishmanial drug candidates. © 2023 by the authors.
dc.identifier.DOI-ID10.3390/vetsci10110648
dc.identifier.issn23067381
dc.identifier.urihttp://akademikarsiv.cbu.edu.tr:4000/handle/123456789/11782
dc.language.isoEnglish
dc.publisherMultidisciplinary Digital Publishing Institute (MDPI)
dc.rightsAll Open Access; Gold Open Access; Green Open Access
dc.subject3 (4 (1H benzimidazol 2 yl)phenyl) 5 (2 (3,4 dihydoxyphenyl) 4 methyl 2oxo ethylthio) 4H 1,2,4 triazole
dc.subject3 (4 (1H benzimidazol 2 yl)phenyl) 5 (2 (3,4 dihydroxyphenyl) 4 ethyl 2 oxo ethylthio) 4H 1,2,4 triazole
dc.subject3 (4 (1H benzimidazol 2 yl)phenyl) 5 (2 (4 bromophenyl) 4 ethyl 2 oxo ethylthio) 4H 1,2,4 triazole
dc.subject3 (4 (1H benzimidazol 2 yl)phenyl) 5 (2 (4 bromophenyl) 4 methyl 2 oxo ethylthio) 4H 1,2,4 triazole
dc.subject3 (4 (1H benzimidazol 2 yl)phenyl) 5 (2 (4 cyanophenyl) 4 ethyl 2 oxo ethylthio) 4H 1,2,4 triazole
dc.subject3 (4 (1H benzimidazol 2 yl)phenyl) 5 (2 (4 methylphenyl) 4 ethyl 2 oxo ethylthio) 4H 1,2,4 triazole
dc.subject3 (4 (1H benzimidazol 2 yl)phenyl) 5 (2 (4 methylphenyl) 4 methyl 2 oxo ethylthio) 4H 1,2, 4 triazole
dc.subject3 (4 (1H benzimidazol 2 yl)phenyl) 5 (2(4 cyanophenyl) 4 methyl 2 oxo ethylthio) 4H 1,2,4 triazole
dc.subject3 (4 (1H benzimidazol 2 yl)phenyl) 5 mercapto 2 (4 (4 methyl/ethyl) 4H 1,2,4 triazole
dc.subjectamphotericin B
dc.subjectbenzimidazole
dc.subjectbenzimidazole derivative
dc.subjectmethyl 4 (1H benz[d]imidazol 2 yl) benzoate
dc.subjectmethyl 4 (1H benz[d]imidazol 2 yl) benzohydrazide
dc.subjectN methyl ethyl 2 [4 (1H-benzimidazol 2 yl)benzoyl]hydrazine 1 carbothioamide
dc.subjectsterol 14alpha demethylase
dc.subjecttriazole
dc.subjecttriazole derivative
dc.subjectunclassified drug
dc.subjectamino acid sequence
dc.subjectantileishmanial activity
dc.subjectArticle
dc.subjectcarbon nuclear magnetic resonance
dc.subjectchemical reaction
dc.subjectcontrolled study
dc.subjectenzyme active site
dc.subjectFourier transform infrared spectroscopy
dc.subjecthydrogen bond
dc.subjectIC50
dc.subjectin vitro study
dc.subjectLeishmania tropica
dc.subjectliquid chromatography-mass spectrometry
dc.subjectmolecular docking
dc.subjectmolecular dynamics
dc.subjectnonhuman
dc.subjectparasite isolation
dc.subjectparasite viability
dc.subjectphysical chemistry
dc.subjectproton nuclear magnetic resonance
dc.subjectXTT assay
dc.titleIn Vitro and In Silico Evaluations of the Antileishmanial Activities of New Benzimidazole-Triazole Derivatives
dc.typeArticle

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