Neurotoxic Effects of Triazole Fungicides on Nigrostriatal Dopaminergic Neurotransmission

Faro, L.R.F.

doi:10.5772/13109

Cited by 3 publications

(1 citation statement)

References 16 publications

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“…They include potent fungicidal stereoisomers that inhibit ergosterol biosynthesis in fungi by preventing 14α-demethylation. They are synthetic substances that can be divided into two groups as imidazole and triazole (Faro, 2010;Lewis et al,2016). Flutriafol (1) is a commercial triazole fungicide.…”

Section: Introductionmentioning

confidence: 99%

Flutriafol ve Triflorlanmış Analoğunun HOMO-LUMO, ESP, NBO ve Lipofilik Karakter Analizleri

SERİN

2023

Ordu Üniversitesi Bilim Ve Teknoloji Dergisi

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This current study focuses on the exploration of the impacts of OH/F isosteric replacement using computational chemistry methods. To this end, Density Functional Theory (DFT) calculations at B3LYP/6-311++G (d, p) level of theory were carried out on flutriafol, a broad-spectrum fungicide, and its trifluorinated analogue. The reflections of OH/F isosteric replacement on frontier molecular orbital energies, reactivity behaviors, electrostatic surface properties and intramolecular interactions were investigated. Also, one of the important consequences of isosteric and bioisosteric replacements is the modification in lipophilic character, which is a remarkable parameter in many respects. Therefore, lipophilic character evaluations were performed for mentioned molecules using SwissADME and Molinspiration software.

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Section: Introductionmentioning

confidence: 99%