First-principle, structure-based prediction of hepatic metabolic clearance values in human

European Journal of Medicinal Chemistry

Volumn 44, Issue 4, 2009, Pages 1600-1606

  Li, Haiyan ^a   Sun, Jin ^a   Sui, Xiaofan ^a   Liu, Jianfang ^a   Yan, Zhongtian ^a   Liu, Xiaohong ^a   Sun, Yinghua ^a   He, Zhonggui ^a  

^a SHENYANG PHARMACEUTICAL UNIVERSITY   (China)

Author keywords

First principle; Hepatic metabolic clearance; In silico prediction

Indexed keywords

BUSPIRONE; CARVEDILOL; CHLORPROMAZINE; DESIPRAMINE; DIAZEPAM; DICLOFENAC; DIFLUNISAL; DILTIAZEM; ETODOLAC; FENOPROFEN; FUROSEMIDE; GEMFIBROZIL; GLIPIZIDE; GRANISETRON; IBUPROFEN; IMIPRAMINE; INDOMETACIN; IRBESARTAN; KETOPROFEN; LIDOCAINE; LORAZEPAM; METHYLPREDNISOLONE; METOPROLOL; MIDAZOLAM; MONTELUKAST; NALOXONE; NIFEDIPINE; ONDANSETRON; PARACETAMOL; UNINDEXED DRUG;

ACCURACY; ANALYTICAL ERROR; ARTICLE; COMPUTER MODEL; COMPUTER PROGRAM; CONTROLLED STUDY; DRUG CLEARANCE; DRUG STRUCTURE; HUMAN; HUMAN CELL; IN VITRO STUDY; LIVER CELL; LIVER CLEARANCE; MOLECULAR MODEL; PREDICTION; QUANTITATIVE ANALYSIS;

COMPUTATIONAL BIOLOGY; DRUG DISCOVERY; HEPATOCYTES; HUMANS; HYDROGEN-ION CONCENTRATION; LIVER; METABOLIC CLEARANCE RATE; MODELS, MOLECULAR; PHARMACEUTICAL PREPARATIONS; PHARMACOKINETICS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SENSITIVITY AND SPECIFICITY; SOFTWARE;

EID: 61349132003     PISSN: 02235234     EISSN: 17683254     Source Type: Journal    
DOI: 10.1016/j.ejmech.2008.07.027     Document Type: Article

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