Ligand-based design, in silico ADME-Tox filtering, synthesis and biological evaluation to discover new soluble 1,4-DHP-based CFTR activators

European Journal of Medicinal Chemistry

Volumn 55, Issue , 2012, Pages 188-194

  Visentin, Sonja ^a   Ermondi, Giuseppe ^a   Medana, Claudio ^a   Pedemonte, Nicoletta ^b   Galietta, Luis ^b   Caron, Giulia ^a  

^a UNIVERSITY OF TURIN   (Italy)

^b G GASLINI INSTITUTE   (Italy)

Author keywords

3D QSAR; ADME Tox; CFTR potentiators; DHP; GRIND; VolSurf+

Indexed keywords

1,4 DIHYDROPYRIDINE DERIVATIVE; CALCIUM CHANNEL BLOCKING AGENT; DHP 138; DHP 194; DHP 242; LIGAND; NITRIC OXIDE; TRANSMEMBRANE CONDUCTANCE REGULATOR; UNCLASSIFIED DRUG;

ABSORPTION DISTRIBUTION METABOLISM TOXICITY; ANIMAL CELL; ARTICLE; BIOLOGICAL ACTIVITY; BLOOD BRAIN BARRIER; COMPUTER MODEL; CYSTIC FIBROSIS; DRUG DESIGN; DRUG DEVELOPMENT; DRUG POTENCY; DRUG RECEPTOR BINDING; DRUG SCREENING; DRUG SOLUBILITY; DRUG STRUCTURE; DRUG SYNTHESIS; ENZYME RELEASE; HYDROPHOBICITY; IC 50; IN VITRO STUDY; IN VIVO STUDY; METHYLATION; NONHUMAN; PHARMACOKINETICS; PHARMACOLOGICAL PARAMETERS; PHYSICAL CHEMISTRY; PROTEIN PHOSPHORYLATION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; RAT; SIMULATION;

ABSORPTION; ANIMALS; CALCIUM CHANNEL BLOCKERS; CHEMISTRY TECHNIQUES, SYNTHETIC; COMPUTATIONAL BIOLOGY; CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR; DIHYDROPYRIDINES; DRUG DESIGN; HUMANS; LIGANDS; MODELS, MOLECULAR; MUTATION; PROTEIN CONFORMATION; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; RATS; SOLUBILITY;

EID: 84865734788     PISSN: 02235234     EISSN: 17683254     Source Type: Journal    
DOI: 10.1016/j.ejmech.2012.07.017     Document Type: Article

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