High throughput screening of pharmacokinetics and metabolism in drug discovery (III) - Investigation on in silico model for membrane permeability and CYP1A2 inhibition

Yakugaku Zasshi

Volumn 125, Issue 1, 2005, Pages 141-147

  Komura, Hiroshi ^a   Shigemoto, Yukie ^a   Kawahara, Iichiro ^a   Matsuda, Kenichi ^a   Ano, Rieko ^a   Murayama, Yoko ^a   Moriwaki, Toshiya ^a   Yoshida, Nagahiro H ^a  

^a BAYER YAKUHIN LTD   (Japan)

Author keywords

Caco 2 permeability; Cytochrome P4501A2 inhibition; Drug discovery; In silico; Polar surface area; Rotatable bond

Indexed keywords

BICYCLO COMPOUND; CYTOCHROME P450 1A2; PYRIDINE DERIVATIVE; PLASMA PROTEIN;

ANIMAL CELL; ARTICLE; BRAIN MEMBRANE; CELL STRAIN CACO 2; CHEMICAL BOND; DERIVATIZATION; DRUG DISTRIBUTION; DRUG METABOLISM; ENZYME INHIBITION; FLUOROMETRY; GASTROINTESTINAL TRACT; HIGH THROUGHPUT SCREENING; IC 50; LIPOPHILICITY; MEMBRANE PERMEABILITY; MODEL; MOLECULAR WEIGHT; NONHUMAN; QUANTITATIVE STRUCTURE ACTIVITY RELATION; RAT; SURFACE PROPERTY; ANIMAL; BRAIN; CELL CULTURE; CELL MEMBRANE PERMEABILITY; DRUG ANTAGONISM; DRUG DESIGN; DRUG SCREENING; MALE; METABOLISM; METHODOLOGY; PHARMACOKINETICS; PROTEIN BINDING; SOLUBILITY; STRUCTURE ACTIVITY RELATION; WISTAR RAT;

ANIMALS; BLOOD PROTEINS; BRAIN; CELL MEMBRANE PERMEABILITY; CELLS, CULTURED; CYTOCHROME P-450 CYP1A2; DRUG DESIGN; DRUG EVALUATION, PRECLINICAL; MALE; PHARMACOKINETICS; PROTEIN BINDING; RATS; RATS, WISTAR; SOLUBILITY; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 17244367334     PISSN: 00316903     EISSN: None     Source Type: Journal    
DOI: 10.1248/yakushi.125.141     Document Type: Article

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