Prodotti della ricerca

 
Titolo: Vanilloid Derivatives as Tyrosinase Inhibitors Driven by Virtual Screening-Based QSAR Models
Autori: 
Data di pubblicazione: 2011
Rivista: 
DRUG TESTING AND ANALYSIS  
Abstract: A number of vanilloids have been tested as tyrosinase inhibitors using Ligand-Based Virtual Screening (LBVS) driven by QSAR (Quantitative Structure-Activity Relationship) models as the multi-agent classification system. A total of 81 models were used to screen this family. Then, a preliminary cluster analysis of the selected chemicals was carried out based on their bioactivity to detect possible similar substructural features among these compounds and the active database used in the QSAR model construction. The compounds identified were tested in vitro to corroborate the results obtained in silico. Among them, two chemicals, isovanillin (K M app = 1.08 mM) near to kojic acid (reference drug) in one cluster and isovanillyl alcohol (K M app = 0.88 mM) at the same distance as hydroquinone (reference drug) in another cluster showed inhibitory activity against tyrosinase. The algorithm proposed here could result in a suitable approach for faster and more effective identification of hit and/or lead compounds with tyrosinase inhibitory activity, helping to shorten the long pipeline in the research of novel depigmenting agents to treat skin disorders. Copyright © 2010 John Wiley & Sons, Ltd.
Handle: http://hdl.handle.net/11584/91319
Tipologia:1.1 Articolo in rivista

File in questo prodotto:
File Descrizione Tipologia Licenza  
Rescigno et al 2011 Vanilloid Derivatives as Tyrosinase Inhibitors.pdf Versione editorialeNon specificatoAdministrator   Richiedi una copia
credits unica.it | accessibilità Università degli Studi di Cagliari
C.F.: 80019600925 - P.I.: 00443370929
note legali | privacy

Nascondi la toolbar