Predictive Toxicity of Conventional Triazole Pesticides by Simulating Inhibitory Effect on Human Aromatase CYP19 Enzyme

Abstract

15 common fungicides were evaluated to study their inhibitory effects on the human aromatase enzyme in comparison with the Letrozole (LTZ), the most potent inhibitor of aromatase (AI) used as anti-estrogen for breast cancer treatment using AUTODOCK software for calculation of inhibition energy on CYP19A1 aromatase enzyme. Those compounds with minimal binding energy are safer in terms of toxicity and resistance of other prescription drugs like non-steroid AIs. In the authors' study, they found that four triazole fungicides compounds, Triticonazole, Tebuconazole, Metconazole and Fluquinconazole, exhibited minimal inhibition constant (IC).