Artículo
The importance of bioactivation in computer-guided drug repositioning: Why the parent drug is not always enough
Fecha de publicación:
08/2016
Editorial:
Bentham Science Publishers
Revista:
Current Topics in Medicinal Chemistry
ISSN:
1568-0266
Idioma:
Inglés
Tipo de recurso:
Artículo publicado
Clasificación temática:
Resumen
Although bioactivation is a well-documented process and the role of active metabolites in the drug discovery field has long been recognized, drug metabolites are usually ignored in virtual screening campaigns oriented to drug repositioning. The present article discusses different issues related to overlooking of the active metabolites in virtual screening campaigns, including an overview of the essential aspects of drug biotransformation and a summary of computational approaches that can provide solutions to those issues. Some valuable computational resources connected with this topic are also overviewed.
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Articulos(CCT - LA PLATA)
Articulos de CTRO.CIENTIFICO TECNOL.CONICET - LA PLATA
Articulos de CTRO.CIENTIFICO TECNOL.CONICET - LA PLATA
Citación
Talevi, Alan; The importance of bioactivation in computer-guided drug repositioning: Why the parent drug is not always enough; Bentham Science Publishers; Current Topics in Medicinal Chemistry; 16; 19; 8-2016; 2078-2087
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