Integrating in Silico and in Vitro Approaches to Predict Drug Accessibility to the Central Nervous System

Molecular Pharmaceutics

Volumn 13, Issue 5, 2016, Pages 1540-1550

  Zhang, Yan Yan ^a   Liu, Houfu ^a   Summerfield, Scott G ^b   Luscombe, Christopher N ^b   Sahi, Jasminder ^a,c  

^a GLAXOSMITHKLINE   (China)

^b GLAXOSMITHKLINE   (United Kingdom)

^c Kerry Center   (China)

Author keywords

blood brain barrier (BBB); central nervous system (CNS); P glycoprotein (P gp); physicochemical parameters; quantitative structure activity relationship (QSAR); unbound brain to blood ratio (Kp,uu)

Indexed keywords

MULTIDRUG RESISTANCE PROTEIN; CENTRAL NERVOUS SYSTEM AGENTS;

ANIMAL EXPERIMENT; ARTICLE; BLOOD BRAIN BARRIER; CENTRAL NERVOUS SYSTEM; COMPUTER MODEL; DRUG BIOAVAILABILITY; DRUG PENETRATION; IN VITRO STUDY; MALE; NONHUMAN; PHYSICAL CHEMISTRY; PREDICTION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; RANDOM FOREST; RAT; RECEIVER OPERATING CHARACTERISTIC; UNBOUND FRACTION; ANIMAL; COMPUTER SIMULATION; DRUG DEVELOPMENT; HUMAN; METABOLISM; PERMEABILITY; PHYSIOLOGY; PROCEDURES; SPRAGUE DAWLEY RAT; TRANSPORT AT THE CELLULAR LEVEL; WISTAR RAT;

ANIMALS; BIOLOGICAL TRANSPORT; BLOOD-BRAIN BARRIER; CENTRAL NERVOUS SYSTEM; CENTRAL NERVOUS SYSTEM AGENTS; COMPUTER SIMULATION; DRUG DISCOVERY; HUMANS; MALE; P-GLYCOPROTEIN; PERMEABILITY; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; RATS; RATS, SPRAGUE-DAWLEY; RATS, WISTAR;

EID: 84968538259     PISSN: 15438384     EISSN: 15438392     Source Type: Journal    
DOI: 10.1021/acs.molpharmaceut.6b00031     Document Type: Article

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