Literature summary for 1.14.14.14 extracted from

Caballero Alfonso, A.Y.; Mora Lagares, L.; Novic, M.; Benfenati, E.; Kumar, A.; Chayawan, A.
Exploration of structural requirements for azole chemicals towards human aromatase CYP19A1 activity Classification modeling, structure-activity relationships and read-across study (2022), Toxicol. In Vitro, 81, 105332 .

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Inhibitors

Inhibitors	Comment	Organism	Structure
additional information	structural requirements for azole chemicals with respect to the aromatase enzyme CYP19A1 activity. 21 structural alerts are associated with aromatase activity, identified from 326 azole-based drugs. Simple methylation of 1,3-thiazole, imidazole and xanthine scaffolds results inactivity while methylated 1,2,4-triazoles are active. Amination of 1,3-thiazole and benzothiazole, and arylation of 1,3-thiazole and diazole scaffolds are significant for activity. Agonist activity of thiazole and its derivatives can be tuned to inactive or antagonist under specific chemicals substitutions at different positions of the 1,3-thiazole ring. The activity of N-ethyl-1,2,4-triazole chemicals (mostly antagonist) can be increased by introducing a better electron donating group at the beta-carbon. Diazoles such as imidazolium ionic liquids and N-alkyl imidazoles have antagonist activity irrespective of the substitituents attached	Homo sapiens

Organism

Organism	UniProt	Comment	Textmining
Homo sapiens	P11511	-	-

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Release 2023.1 (January 2023)