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dc.contributor.author
Luco, Juan Maria
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dc.contributor.author
Marchevsky, Eduardo Jorge
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dc.date.available
2020-03-17T21:14:49Z
dc.date.issued
2006-03
dc.identifier.citation
Luco, Juan Maria; Marchevsky, Eduardo Jorge; QSAR studies on blood-brain barrier permeation; Bentham Science Publishers; Current Computer-aided Drug Design; 2; 1; 3-2006; 31-55
dc.identifier.issn
1573-4099
dc.identifier.uri
http://hdl.handle.net/11336/99949
dc.description.abstract
This review focuses on both physicochemical and theoretical QSAR methods for the prediction of drug transport across the blood-brain barrier (BBB). Special emphasis is given to the recent progress that has been made in the modeling of BBB penetration, with a particular focus on the models based on kinetic parameters of BBB permeability dataset. Physicochemical models based on partition coefficients and chromatographic capacity factors, as well as computerized parameters such as polar surface area and hydrogen-bonding descriptors are described and their success and limitations are discussed. Theoretical models based on topological or molecular orbital calculations are summarized and assessed in terms of descriptors, model type, predictive performance and interpretability. Strengths and weaknesses of the various methods are described. Related issues that are mentioned include the transporter-mediated permeation of drugs across the BBB and its implications on the stability and predictive quality of QSAR models.
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
ABC-TRANSPORTERS
dc.subject
CNS
dc.subject
DIFFUSION
dc.subject
ORGANIC ANION TRANSPORTERS (OATS)
dc.subject
PHARMACOKINETIC (PK) PROFILES
dc.subject
QSAR MODELS
dc.subject.classification
Química Analítica
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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
QSAR studies on blood-brain barrier permeation
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2020-01-03T14:26:34Z
dc.journal.volume
2
dc.journal.number
1
dc.journal.pagination
31-55
dc.journal.pais
Estados Unidos
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dc.journal.ciudad
Oak Park
dc.description.fil
Fil: Luco, Juan Maria. Universidad Nacional de San Luis. Facultad de Química, Bioquímica y Farmacia. Laboratorio de Alimentos; Argentina
dc.description.fil
Fil: Marchevsky, Eduardo Jorge. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Química de San Luis. Universidad Nacional de San Luis. Facultad de Química, Bioquímica y Farmacia. Instituto de Química de San Luis; Argentina
dc.journal.title
Current Computer-aided Drug Design
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dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/http://www.eurekaselect.com/55061/article
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.2174/157340906776056437
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