In Vitro and In Silico Evaluations of the Antileishmanial Activities of New Benzimidazole-Triazole Derivatives
Benzimidazole 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 (<b>5a...
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| Format: | Article |
| Language: | English |
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MDPI AG
2023-11-01
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| Series: | Veterinary Sciences |
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| Online Access: | https://www.mdpi.com/2306-7381/10/11/648 |
| _version_ | 1797457526555410432 |
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| author | Mustafa Eser İbrahim Çavuş |
| author_facet | Mustafa Eser İbrahim Çavuş |
| author_sort | Mustafa Eser |
| collection | DOAJ |
| description | Benzimidazole 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 (<b>5a</b>–<b>5h</b>) 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 <i>Leishmania tropica</i> strain. Further, molecular docking and dynamics were performed to identify the probable mechanism of activity of the test compounds. The findings revealed that compounds <b>5a</b>, <b>5d</b>, <b>5e</b>, <b>5f</b>, and <b>5h</b> inhibited the growth of <i>Leishmania tropica</i> 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 <b>5b</b>, <b>5c</b>, and <b>5g</b> 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. |
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| institution | Directory Open Access Journal |
| issn | 2306-7381 |
| language | English |
| last_indexed | 2024-03-09T16:23:19Z |
| publishDate | 2023-11-01 |
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| series | Veterinary Sciences |
| spelling | doaj.art-1c62b6809a8c46d189ecbb691d2771762023-11-24T15:10:27ZengMDPI AGVeterinary Sciences2306-73812023-11-01101164810.3390/vetsci10110648In Vitro and In Silico Evaluations of the Antileishmanial Activities of New Benzimidazole-Triazole DerivativesMustafa Eser0İbrahim Çavuş1Health Programs, Faculty of Open Education, Anadolu University, Eskisehir 26470, TurkeyDepartment of Parasitology, Faculty of Medicine, Manisa Celal Bayar University, Manisa 45030, TurkeyBenzimidazole 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 (<b>5a</b>–<b>5h</b>) 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 <i>Leishmania tropica</i> strain. Further, molecular docking and dynamics were performed to identify the probable mechanism of activity of the test compounds. The findings revealed that compounds <b>5a</b>, <b>5d</b>, <b>5e</b>, <b>5f</b>, and <b>5h</b> inhibited the growth of <i>Leishmania tropica</i> 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 <b>5b</b>, <b>5c</b>, and <b>5g</b> 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.https://www.mdpi.com/2306-7381/10/11/648antileishmanial activityleishmaniasisbenzimidazoletriazoleXTT |
| spellingShingle | Mustafa Eser İbrahim Çavuş In Vitro and In Silico Evaluations of the Antileishmanial Activities of New Benzimidazole-Triazole Derivatives Veterinary Sciences antileishmanial activity leishmaniasis benzimidazole triazole XTT |
| title | In Vitro and In Silico Evaluations of the Antileishmanial Activities of New Benzimidazole-Triazole Derivatives |
| title_full | In Vitro and In Silico Evaluations of the Antileishmanial Activities of New Benzimidazole-Triazole Derivatives |
| title_fullStr | In Vitro and In Silico Evaluations of the Antileishmanial Activities of New Benzimidazole-Triazole Derivatives |
| title_full_unstemmed | In Vitro and In Silico Evaluations of the Antileishmanial Activities of New Benzimidazole-Triazole Derivatives |
| title_short | In Vitro and In Silico Evaluations of the Antileishmanial Activities of New Benzimidazole-Triazole Derivatives |
| title_sort | in vitro and in silico evaluations of the antileishmanial activities of new benzimidazole triazole derivatives |
| topic | antileishmanial activity leishmaniasis benzimidazole triazole XTT |
| url | https://www.mdpi.com/2306-7381/10/11/648 |
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