Psoralen and Bergapten: In Silico Metabolism and Toxicophoric Analysis of Drugs Used to Treat Vitiligo

• Egile Nagusiak: Vinicius Barreto da Silva (Egilea), Daniel Fábio Kawano (Egilea), Ivone Carvalho (Egilea), Edemilson Cardoso Conceição (Egilea), Osvaldo Freitas (Egilea), Carlos Henrique Tomich de Paula Silva (Egilea)
• Formatua: Liburua
• Argitaratua: Frontiers Media S.A., 2009-12-01T00:00:00Z.
• Gaiak: article
• Sarrera elektronikoa: Connect to this object online.

PURPOSE: to discuss the contribution of psoralen and bergapten metabolites on psoralens toxicity. METHODS: Computational chemistry prediction of metabolic reactions and toxicophoric groups based on the expert systems Derek and Meteor. RESULTS: a total of 15 metabolites were suggested for both psoral...