Combined 4D-fingerprint and clustering based membrane-interaction QSAR analyses for constructing consensus Caco-2 cell permeation virtual screens

Journal of Pharmaceutical Sciences

Volumn 97, Issue 1, 2008, Pages 566-583

  Santos Filho, Osvaldo A ^a   Hopfinger, Anton J ^b,c  

^a UNIVERSITY OF BRITISH COLUMBIA   (Canada)

^b UNIVERSITY OF NEW MEXICO   (United States)

^c Chem21 Group Inc   (United States)

Author keywords

Caco 2 cell permeation; Cluster analysis; Drug absorption; Membrane; Molecular similarity; QSAR; Universal 4D fingerprint descriptors

Indexed keywords

ACICLOVIR; ALPRENOLOL; ATENOLOL; BREMAZOCINE; CAFFEINE; CHLORPROMAZINE; CLONIDINE; CORTICOSTERONE; DESIPRAMINE; DEXAMETHASONE; DIAZEPAM; DOPAMINE; ESTRADIOL; GANCICLOVIR; HYDROCORTISONE; INDOMETACIN; LABETALOL; METOPROLOL; NADOLOL; NICOTINE; PHENCYCLIDINE; PHENYTOIN; PINDOLOL; PROGESTERONE; SALAZOSULFAPYRIDINE; SALICYLIC ACID; SCOPOLAMINE; TERBUTALINE; TESTOSTERONE; UNINDEXED DRUG;

ARTICLE; CELL MEMBRANE PERMEABILITY; CONTROLLED STUDY; DRUG ABSORPTION; DRUG PENETRATION; DRUG RESEARCH; HUMAN; HUMAN CELL; HYDROGEN BOND; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SCREENING;

EID: 38349173396     PISSN: 00223549     EISSN: 15206017     Source Type: Journal    
DOI: 10.1002/jps.21086     Document Type: Article

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