Current State and Future Perspectives in QSAR Models to Predict Blood Brain Barrier penetration in Central Nervous System Drug R&D

The blood brain barrier (BBB) is a physical and biochemical barrier that restricts the entry of certain drugs to the Central Nervous System (CNS), while allowing the passage of others. The ability to predict the permeability of a given molecule through the BBB is a key aspect in CNS drug discovery a...

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Autores principales: Morales, Juan Francisco, Scioli Montoto, Sebastián, Fagiolino, Pietro, Ruiz, María
Formato: Articulo
Lenguaje:Inglés
Publicado: 2017
Materias:
Biología
Blood-brain barrier
Brain penetration
Central nervous system
Microdialysis
Passive difussion
Pharmacokinetic
QSAR models
Protein binding,
Unbound drug fraction
Acceso en línea:http://sedici.unlp.edu.ar/handle/10915/103692
Aporte de:
SEDICI (UNLP) de Universidad Nacional de La Plata
id I19-R120-10915-103692
record_format dspace
institution Universidad Nacional de La Plata
institution_str I-19
repository_str R-120
collection SEDICI (UNLP)
language Inglés
topic Biología
Blood-brain barrier
Brain penetration
Central nervous system
Microdialysis
Passive difussion
Pharmacokinetic
QSAR models
Protein binding,
Unbound drug fraction
spellingShingle Biología
Blood-brain barrier
Brain penetration
Central nervous system
Microdialysis
Passive difussion
Pharmacokinetic
QSAR models
Protein binding,
Unbound drug fraction
Morales, Juan Francisco
Scioli Montoto, Sebastián
Fagiolino, Pietro
Ruiz, María
Current State and Future Perspectives in QSAR Models to Predict Blood Brain Barrier penetration in Central Nervous System Drug R&D
topic_facet Biología
Blood-brain barrier
Brain penetration
Central nervous system
Microdialysis
Passive difussion
Pharmacokinetic
QSAR models
Protein binding,
Unbound drug fraction
description The blood brain barrier (BBB) is a physical and biochemical barrier that restricts the entry of certain drugs to the Central Nervous System (CNS), while allowing the passage of others. The ability to predict the permeability of a given molecule through the BBB is a key aspect in CNS drug discovery and development, since neurotherapeutic agents with molecular targets in the CNS should be able to cross the BBB, whereas peripherally acting agents should not, to minimize the risk of CNS adverse effects. In this review we examine and discuss QSAR approaches and current availability of experimental data for the construction of BBB permeability predictive models, focusing on the modeling of the biorelevant parameter unbound partitioning coefficient (Kp,uu) . Emphasis is made on two possible strategies to overcome the current limitations of in silico models: considering the prediction of brain penetration as a multifactorial problem, and increasing experimental datasets through accurate and standardized experimental techniques.
format Articulo
Articulo
author Morales, Juan Francisco
Scioli Montoto, Sebastián
Fagiolino, Pietro
Ruiz, María
author_facet Morales, Juan Francisco
Scioli Montoto, Sebastián
Fagiolino, Pietro
Ruiz, María
author_sort Morales, Juan Francisco
title Current State and Future Perspectives in QSAR Models to Predict Blood Brain Barrier penetration in Central Nervous System Drug R&D
title_short Current State and Future Perspectives in QSAR Models to Predict Blood Brain Barrier penetration in Central Nervous System Drug R&D
title_full Current State and Future Perspectives in QSAR Models to Predict Blood Brain Barrier penetration in Central Nervous System Drug R&D
title_fullStr Current State and Future Perspectives in QSAR Models to Predict Blood Brain Barrier penetration in Central Nervous System Drug R&D
title_full_unstemmed Current State and Future Perspectives in QSAR Models to Predict Blood Brain Barrier penetration in Central Nervous System Drug R&D
title_sort current state and future perspectives in qsar models to predict blood brain barrier penetration in central nervous system drug r&d
publishDate 2017
url http://sedici.unlp.edu.ar/handle/10915/103692
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