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

• Main Authors: Vinicius Barreto da Silva (Author), Daniel Fábio Kawano (Author), Ivone Carvalho (Author), Edemilson Cardoso Conceição (Author), Osvaldo Freitas (Author), Carlos Henrique Tomich de Paula Silva (Author)
• Format: Book
• Published: Frontiers Media S.A., 2009-12-01T00:00:00Z.
• Subjects: article
• Online Access: 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...