Improving the prediction of drug disposition in the brain

Efflux transporters in the blood–brain interfaces –in vitroandin vivomethods and correlations

(2012) Péter Krajcsi et al.   Expert Opinion on Drug Metabolism & Toxicology

Strategies to minimize CNS toxicity:in vitrohigh-throughput assays and computational modeling

(2012) Travis T Wager et al.   Expert Opinion on Drug Metabolism & Toxicology

A Bayesian Approach to in Silico Blood-Brain Barrier Penetration Modeling

(2012) Ines Filipa Martins et al.   Journal of Chemical Information and Modeling

How Well Do Lipophilicity Parameters, MEEKC Microemulsion Capacity Factor, and Plasma Protein Binding Predict CNS Tissue Binding?

(2012) Maciej J. Zamek-Gliszczynski et al.   JOURNAL OF PHARMACEUTICAL SCIENCES

Computational Prediction of Blood-Brain Barrier Permeability Using Decision Tree Induction

(2012) Claudia Suenderhauf et al.   MOLECULES

Prediction of Blood–Brain Distribution: Effect of Ionization

(2011) Ali Shayanfar et al.   BIOLOGICAL & PHARMACEUTICAL BULLETIN

Neurotoxic effects associated with antibiotic use: management considerations

(2011) Marie F. Grill et al.   BRITISH JOURNAL OF CLINICAL PHARMACOLOGY

Quinolones

(2011) Ana M. Tomé et al.   DRUG SAFETY

Qualitative prediction of blood–brain barrier permeability on a large and refined dataset

(2011) Markus Muehlbacher et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

In silico prediction of unbound brain-to-plasma concentration ratio using machine learning algorithms

(2011) Hongming Chen et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

QSAR Analysis of Blood–Brain Distribution: The Influence of Plasma and Brain Tissue Binding

(2011) Kiril Lanevskij et al.   JOURNAL OF PHARMACEUTICAL SCIENCES

Full efficacy with no CNS side-effects: unachievable panacea or reality? DMPK considerations in design of drugs with limited brain penetration

(2011) Susan Cole et al.   XENOBIOTICA

Insights for Predicting Blood-Brain Barrier Penetration of CNS Targeted Molecules Using QSPR Approaches

(2010) Yi Fan et al.   Journal of Chemical Information and Modeling

Prediction of passive blood–brain partitioning: Straightforward and effective classification models based on in silico derived physicochemical descriptors

(2010) Santiago Vilar et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Equations for the Transfer of Neutral Molecules and Ionic Species from Water to Organic phases

(2010) Michael H Abraham et al.   JOURNAL OF ORGANIC CHEMISTRY

The Permeation of Neutral Molecules, Ions, and Ionic Species Through Membranes: Brain Permeation as an Example

(2010) Michael H. Abraham   JOURNAL OF PHARMACEUTICAL SCIENCES

Best Practices for QSAR Model Development, Validation, and Exploitation

(2010) Alexander Tropsha   Molecular Informatics

Physicochemical Selectivity of the BBB Microenvironment Governing Passive Diffusion—Matching with a Porcine Brain Lipid Extract Artificial Membrane Permeability Model

(2010) Oksana Tsinman et al.   PHARMACEUTICAL RESEARCH

Addressing Central Nervous System (CNS) Penetration in Drug Discovery: Basics and Implications of the Evolving New Concept

(2009) Andreas Reichel   CHEMISTRY & BIODIVERSITY

Ionization-Specific QSAR Models of Blood–Brain Penetration of Drugs

(2009) Kiril Lanevskij et al.   CHEMISTRY & BIODIVERSITY

A prediction model for blood–brain barrier permeation and analysis on its parameter biologically

(2009) Yan Chen et al.   COMPUTER METHODS AND PROGRAMS IN BIOMEDICINE

Approaches to seizure risk assessment in preclinical drug discovery

(2009) Alison Easter et al.   DRUG DISCOVERY TODAY

Brain drug targeting: a computational approach for overcoming blood–brain barrier

(2009) Ahmad Reza Mehdipour et al.   DRUG DISCOVERY TODAY

P-glycoprotein deficient mouse in situ blood–brain barrier permeability and its prediction using an in combo PAMPA model

(2009) Claude Dagenais et al.   EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES

Structure−Brain Exposure Relationships in Rat and Human Using a Novel Data Set of Unbound Drug Concentrations in Brain Interstitial and Cerebrospinal Fluids

(2009) Markus Fridén et al.   JOURNAL OF MEDICINAL CHEMISTRY

Relationship between Brain Tissue Partitioning and Microemulsion Retention Factors of CNS Drugs

(2009) Hong Wan et al.   JOURNAL OF MEDICINAL CHEMISTRY

Ionization-specific analysis of human intestinal absorption

(2009) Derek P. Reynolds et al.   JOURNAL OF PHARMACEUTICAL SCIENCES

In vivo, in vitro and in silico methods for small molecule transfer across the BBB

(2009) Jurgen Mensch et al.   JOURNAL OF PHARMACEUTICAL SCIENCES

Water–Solvent Partition Coefficients and Δ Log P Values as Predictors for Blood–Brain Distribution; Application of the Akaike Information Criterion

(2009) Michael H. Abraham et al.   JOURNAL OF PHARMACEUTICAL SCIENCES

Significance of Protein Binding in Pharmacokinetics and Pharmacodynamics

(2009) Stephan Schmidt et al.   JOURNAL OF PHARMACEUTICAL SCIENCES

Assessment of the blood–brain barrier in CNS drug discovery

(2009) Phil Jeffrey et al.   NEUROBIOLOGY OF DISEASE

Structure and function of the blood–brain barrier

(2009) N. Joan Abbott et al.   NEUROBIOLOGY OF DISEASE

Development and Validation of a Pharmacophore-Based QSAR Model for the Prediction of CNS Activity

(2008) Rafael Gozalbes et al.   ChemMedChem

Predicting blood–brain barrier penetration from molecular weight and number of polar atoms

(2008) Xu-Chun Fu et al.   EUROPEAN JOURNAL OF PHARMACEUTICS AND BIOPHARMACEUTICS

Ionization-Specific Prediction of Blood–Brain Permeability

(2008) Kiril Lanevskij et al.   JOURNAL OF PHARMACEUTICAL SCIENCES

Comparison of blood–brain barrier permeability assays: in situ brain perfusion, MDR1-MDCKII and PAMPA-BBB

(2008) Li Di et al.   JOURNAL OF PHARMACEUTICAL SCIENCES

Progress in Brain Penetration Evaluation in Drug Discovery and Development

(2008) X. Liu et al.   JOURNAL OF PHARMACOLOGY AND EXPERIMENTAL THERAPEUTICS

New Predictive Models for Blood–Brain Barrier Permeability of Drug-like Molecules

(2008) Sandhya Kortagere et al.   PHARMACEUTICAL RESEARCH

QSAR Modeling of the Blood–Brain Barrier Permeability for Diverse Organic Compounds

(2008) Liying Zhang et al.   PHARMACEUTICAL RESEARCH