Literature summary for 1.14.14.14 extracted from

Chayawan, C.; Toma, C.; Benfenati, E.; Caballero Alfonso, A.
Towards an understanding of the mode of action of human aromatase activity for azoles through quantum chemical descriptors-based regression and structure activity relationship modeling analysis (2020), Molecules, 25, 739 .

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Inhibitors

Inhibitors	Comment	Organism	Structure
additional information	analysis of triazoles, diazoles, and thiazoles for their reversible inhibition and agonist activity. The chemical nature and position of substituents (chemical groups) on diazoles and triazole ring have different contributions to inhibition, while functional groups having resonating charges have a significant role for agonist activity. The electrophilicity originates from the interelectronic exchange interaction, the LUMO energy and spherical shape are the key factors. The antagonist activity of diazoles is electronically a function of HOMONL energy and stereochemically a function of branching index and number of ring system. Localized charges have a negative contribution to the agonist activity, whereas the delocalized charges in diazoles and thiazoles increase the agonist behaviour	Homo sapiens

Organism

Organism	UniProt	Comment	Textmining
Homo sapiens	P11511	-	-

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Release 2023.1 (January 2023)