In silico analysis to predict the carcinogenicity and mutagenicity of a group of triazole fungicides
Mine ÇağlayanBackground and Aims: Fungicides, particularly triazoles, are of global concern for pesticide contamination because of their widespread use. This study focuses on estimating the carcinogenicity and mutagenicity of 15 commonly used triazole fungicides.
Methods: In silico prediction tools such as ProTox-II, Toxtree, Lazar, and VEGA were used to predict mutagenicity and carcino genicity.
Results: All compounds were predicted to be “non-mutagenic” by ProTox-II, Toxtree, and Lazar. However, the CONSENSUS of VEGAidentified epoxiconazole and prothioconazole as “mutagenic." Regarding carcinogenicity predictions, ProTox-II indicated non-carcinogenicity for all compounds, whereas Toxtree and VEGA (ISS) raised structural alerts for 10 compounds. In addition, Lazarpredicted carcinogenicity for tebuconazole, paclobutrazol, and penconazole. It is worth noting that the results exhibit variable reliability, emphasising the need for further investigation and validation.
Conclusion: In silico tools proved valuable for predicting the toxicity of triazole fungicides, emphasising the need for additional data. Although the study categorises compounds as non-mutagenic, some exhibit structural alerts for potential carcinogenicity. This strategic approach contributes to pesticide risk assessment by highlighting the role of computational models in advancing our understanding of the health impacts associated with pesticide exposure.
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APA
Çağlayan, M. (2024). In silico analysis to predict the carcinogenicity and mutagenicity of a group of triazole fungicides. İstanbul Journal of Pharmacy, 54(2), 205-214. https://doi.org/10.26650/IstanbulJPharm.2024.1399961
AMA
Çağlayan M. In silico analysis to predict the carcinogenicity and mutagenicity of a group of triazole fungicides. İstanbul Journal of Pharmacy. 2024;54(2):205-214. https://doi.org/10.26650/IstanbulJPharm.2024.1399961
ABNT
Çağlayan, M. In silico analysis to predict the carcinogenicity and mutagenicity of a group of triazole fungicides. İstanbul Journal of Pharmacy, [Publisher Location], v. 54, n. 2, p. 205-214, 2024.
Chicago: Author-Date Style
Çağlayan, Mine,. 2024. “In silico analysis to predict the carcinogenicity and mutagenicity of a group of triazole fungicides.” İstanbul Journal of Pharmacy 54, no. 2: 205-214. https://doi.org/10.26650/IstanbulJPharm.2024.1399961
Chicago: Humanities Style
Çağlayan, Mine,. “In silico analysis to predict the carcinogenicity and mutagenicity of a group of triazole fungicides.” İstanbul Journal of Pharmacy 54, no. 2 (Nov. 2024): 205-214. https://doi.org/10.26650/IstanbulJPharm.2024.1399961
Harvard: Australian Style
Çağlayan, M 2024, 'In silico analysis to predict the carcinogenicity and mutagenicity of a group of triazole fungicides', İstanbul Journal of Pharmacy, vol. 54, no. 2, pp. 205-214, viewed 15 Nov. 2024, https://doi.org/10.26650/IstanbulJPharm.2024.1399961
Harvard: Author-Date Style
Çağlayan, M. (2024) ‘In silico analysis to predict the carcinogenicity and mutagenicity of a group of triazole fungicides’, İstanbul Journal of Pharmacy, 54(2), pp. 205-214. https://doi.org/10.26650/IstanbulJPharm.2024.1399961 (15 Nov. 2024).
MLA
Çağlayan, Mine,. “In silico analysis to predict the carcinogenicity and mutagenicity of a group of triazole fungicides.” İstanbul Journal of Pharmacy, vol. 54, no. 2, 2024, pp. 205-214. [Database Container], https://doi.org/10.26650/IstanbulJPharm.2024.1399961
Vancouver
Çağlayan M. In silico analysis to predict the carcinogenicity and mutagenicity of a group of triazole fungicides. İstanbul Journal of Pharmacy [Internet]. 15 Nov. 2024 [cited 15 Nov. 2024];54(2):205-214. Available from: https://doi.org/10.26650/IstanbulJPharm.2024.1399961 doi: 10.26650/IstanbulJPharm.2024.1399961
ISNAD
Çağlayan, Mine. “In silico analysis to predict the carcinogenicity and mutagenicity of a group of triazole fungicides”. İstanbul Journal of Pharmacy 54/2 (Nov. 2024): 205-214. https://doi.org/10.26650/IstanbulJPharm.2024.1399961
