Predicting efflux ratios and blood-brain barrier penetration from chemical structure: Combining passive permeability with active efflux by P-glycoprotein

ACS Chemical Neuroscience

Volumn 4, Issue 2, 2013, Pages 361-367

  Dolghih, Elena ^a   Jacobson, Matthew P ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

BBB; blood brain barrier; CNS drugs; efflux ratio prediction; P glycoprotein; structure based ADME prediction

Indexed keywords

ASTEMIZOLE; CIMETIDINE; ETOPOSIDE; KETOCONAZOLE; METERGOLINE; MONENSIN; MORPHINE; MULTIDRUG RESISTANCE PROTEIN; NICARDIPINE; SALAZOSULFAPYRIDINE; SUMATRIPTAN; TERFENADINE; YOHIMBINE; ZOLMITRIPTAN;

ARTICLE; BLOOD BRAIN BARRIER; CENTRAL NERVOUS SYSTEM; CHEMICAL STRUCTURE; DRUG PENETRATION; PRIORITY JOURNAL; PROTEIN CONFORMATION; PROTEIN TRANSPORT;

ANIMALS; BIOLOGICAL TRANSPORT; BIOLOGICAL TRANSPORT, ACTIVE; BLOOD-BRAIN BARRIER; CENTRAL NERVOUS SYSTEM AGENTS; MICE; MODELS, BIOLOGICAL; MOLECULAR DOCKING SIMULATION; P-GLYCOPROTEIN; PERMEABILITY;

EID: 84874047597     PISSN: None     EISSN: 19487193     Source Type: Journal    
DOI: 10.1021/cn3001922     Document Type: Article

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