Psoralen and bergapten: in silico metabolism and toxicophoric analysis of drugs used to treat vitiligo

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dc.creatorSilva, Vinicius Barreto da
dc.creatorKawano, Daniel Fábio
dc.creatorCarvalho, Ivone
dc.creatorConceição, Edemilson Cardoso da
dc.creatorFreitas, Osvaldo de
dc.creatorSilva, Carlos Henrique Tomich de Paula da
dc.date.accessioned2020-01-28T14:38:48Z
dc.date.available2020-01-28T14:38:48Z
dc.date.issued2009
dc.description.abstractPurpose. 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 psoralen and bergapten based on phase 1 and 2 biotransformations until the 3rd generation. Five toxicophoric substructures were shared among psoralen, bergapten and their corresponding metabolites; one toxicophoric marker (resorcinol) was only identified in bergapten and its biotransformation products. Conclusion. Although the toxic effects of psoralens are well known and documented, there is little information concerning the role of their metabolites in this process. We believe this work adds to the knowledge of which molecular substructures are relevant to the process of metabolism and toxicity induction, thus, guiding the search and development of more effective and less toxic drugs to treat vitiligo.pt_BR
dc.identifier.citationSILVA, Vinicius Barreto da et al. Psoralen and bergapten: in silico metabolism and toxicophoric analysis of drugs used to treat vitiligo. Journal of Pharmacy & Pharmaceutical Sciences, Alberta, v. 12, n. 3, p. 378-387, 2009.pt_BR
dc.identifier.doi10.18433/j3w01d
dc.identifier.issn1482-1826
dc.identifier.urihttp://repositorio.bc.ufg.br/handle/ri/18584
dc.language.isoengpt_BR
dc.publisher.countryCanadapt_BR
dc.publisher.departmentFaculdade de Farmácia - FF (RG)pt_BR
dc.rightsAcesso Abertopt_BR
dc.titlePsoralen and bergapten: in silico metabolism and toxicophoric analysis of drugs used to treat vitiligopt_BR
dc.typeArtigopt_BR

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