Melanogenesis controls the formation of melanin pigment whose overproduction is related to various hyperpigmentary disorders in humans. Tyrosinase is a type-3 copper enzyme involved in the rate limiting step of melanin synthesis, therefore its inhibition could represent an efficient way for the development of depigmenting agents. In this work, a combination of pharmacophore and docking-based studies has been employed to screen two in-house 3D compound databases containing about 2,000 molecules from natural and synthetic sources. As result we selected two “hit compounds” which proved to inhibit tyrosinase activity showing IC50 values in the micromolar range.
A Combination of Pharmacophore and Docking-based Virtual Screening to Discover new Tyrosinase Inhibitors
Vittorio S.
Primo
;Germano M. P.;Gitto R.;Rapisarda A.;De Luca L.Ultimo
2020-01-01
Abstract
Melanogenesis controls the formation of melanin pigment whose overproduction is related to various hyperpigmentary disorders in humans. Tyrosinase is a type-3 copper enzyme involved in the rate limiting step of melanin synthesis, therefore its inhibition could represent an efficient way for the development of depigmenting agents. In this work, a combination of pharmacophore and docking-based studies has been employed to screen two in-house 3D compound databases containing about 2,000 molecules from natural and synthetic sources. As result we selected two “hit compounds” which proved to inhibit tyrosinase activity showing IC50 values in the micromolar range.| File | Dimensione | Formato | |
|---|---|---|---|
|
3159205_elettr..pdf
solo utenti autorizzati
Tipologia:
Versione Editoriale (PDF)
Licenza:
Tutti i diritti riservati (All rights reserved)
Dimensione
1.24 MB
Formato
Adobe PDF
|
1.24 MB | Adobe PDF | Visualizza/Apri Richiedi una copia |
Pubblicazioni consigliate
I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
