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

Autor:	Tamar Chachibaia, Joy Harris Hoskeri
Rok vydání:	2016
Předmět:	0301 basic medicine chemistry.chemical_classification biology Letrozole Triazole Pharmacology AutoDock Fungicide 03 medical and health sciences chemistry.chemical_compound 030104 developmental biology Enzyme chemistry Toxicity biology.protein medicine Aromatase Tebuconazole medicine.drug
Zdroj:	International Journal of Knowledge Discovery in Bioinformatics. 6:44-56
ISSN:	1947-9123 1947-9115
DOI:	10.4018/ijkdb.2016070104
Popis:	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).
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::4ddfa68a83998f58c7bddfc048276af1 https://doi.org/10.4018/ijkdb.2016070104 Zobrazit plný text záznamu