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. Ferraboschi
Primo
;
L. Legnani
Secondo
;
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.
3003 ; Biochemistry ; antiandrogen ; NMR
Settore BIO/10 - Biochimica
2014
Article (author)
File in questo prodotto:
File Dimensione Formato  
c4md00049h.pdf

accesso aperto

Tipologia: Publisher's version/PDF
Dimensione 557.42 kB
Formato Adobe PDF
557.42 kB Adobe PDF Visualizza/Apri
Pubblicazioni consigliate

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/2434/244142
Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 14
  • ???jsp.display-item.citation.isi??? 12
social impact