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dc.contributor.author
Talevi, Alan
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dc.date.available
2018-08-06T19:05:33Z
dc.date.issued
2016-08
dc.identifier.citation
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
dc.identifier.issn
1568-0266
dc.identifier.uri
http://hdl.handle.net/11336/54310
dc.description.abstract
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.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
Bentham Science Publishers
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dc.rights
info:eu-repo/semantics/openAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
Bioactivation
dc.subject
Computer-Guided Drug Repositioning
dc.subject
Drug Metabolome
dc.subject
Drug Repositioning
dc.subject
Human Metabolome Database
dc.subject
In Silico Screening
dc.subject
Virtual Screening
dc.subject.classification
Otras Ciencias Químicas
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dc.subject.classification
Ciencias Químicas
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dc.subject.classification
CIENCIAS NATURALES Y EXACTAS
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dc.title
The importance of bioactivation in computer-guided drug repositioning: Why the parent drug is not always enough
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2018-08-03T14:16:34Z
dc.journal.volume
16
dc.journal.number
19
dc.journal.pagination
2078-2087
dc.journal.pais
Estados Unidos
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dc.description.fil
Fil: Talevi, Alan. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Departamento de Ciencias Biológicas. Cátedra de Química Medicinal; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
dc.journal.title
Current Topics in Medicinal Chemistry
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dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.2174/1568026616666160216155043
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/http://www.eurekaselect.com/139554/article
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