Cortexolone-17α-propionate is a topical antiandrogen under investigation for the treatment of androgen-related skin disorders. A full conformational characterization was realized, in comparison with other steroidal androgens and antiandrogens, by means of theoretical calculations at the B3LYP/6-31G(d) level supported by high-field NMR analyses. All of the studied molecules showed a good overlay; nevertheless, the different functional groups present in the skeleton of the molecules drive the individual biological profile. © 2014 the Partner Organisations.
A full conformational characterization of antiandrogen cortexolone- 17α-propionate and related compounds through theoretical calculations and nuclear magnetic resonance spectroscopy / P. Ferraboschi, L. Legnani, G. Celasco, L. Moro, L. Ragonesi, D. Colombo. - In: MEDCHEMCOMM. - ISSN 2040-2503. - 5:7(2014), pp. 904-914. [10.1039/C4MD00049H]
A full conformational characterization of antiandrogen cortexolone- 17α-propionate and related compounds through theoretical calculations and nuclear magnetic resonance spectroscopy
P. FerraboschiPrimo
;L. LegnaniSecondo
;D. Colombo
2014
Abstract
Cortexolone-17α-propionate is a topical antiandrogen under investigation for the treatment of androgen-related skin disorders. A full conformational characterization was realized, in comparison with other steroidal androgens and antiandrogens, by means of theoretical calculations at the B3LYP/6-31G(d) level supported by high-field NMR analyses. All of the studied molecules showed a good overlay; nevertheless, the different functional groups present in the skeleton of the molecules drive the individual biological profile. © 2014 the Partner Organisations.File | Dimensione | Formato | |
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