Virtual screening against nuclear factor κb (NF-κB) of a focus library: Identification of bioactive furocoumarin derivatives inhibiting NF-κB dependent biological functions involved in cystic fibrosis

Bioorganic and Medicinal Chemistry

Volumn 18, Issue 23, 2010, Pages 8341-8349

  Piccagli, Laura ^a   Borgatti, Monica ^a   Nicolis, Elena ^b   Bianchi, Nicoletta ^a   Mancini, Irene ^a   Lampronti, Ilaria ^a   Vevaldi, Daniela ^c   Dall'Acqua, Francesco ^c   Cabrini, Giulio ^a   Gambari, Roberto ^a  

^a BioPharmaNet   (Italy)

^b UNIVERSITY HOSPITAL OF VERONA   (Italy)

^c UNIVERSITY OF PADOVA   (Italy)

Author keywords

Cystic fibrosis; Furocoumarin; Inhibitors; NF B; Virtual screening

Indexed keywords

3,4 DIMETHYLPSOLAREN; 4 METHYLANGELICIN; 4 METHYLPSOLAREN; 4',5' DIMETHYLANGELICIN; 4,2',3' TRIMETHYLTIOANGELICIN; 4,4',5' TRIMETHYLPSOLAREN; 4,5' DIMETHYLANGELICIN; 4,5' DIMETHYLPSOLAREN; 4,5',4' TRIMETHYLANGELICIN; 4,5',8 TRIMETHYLPSOLAREN; 4,6,2' TRIMETHYLFLUOROQUINOLINONE; 5 METHOXYPSOLAREN; 5 METHYLPSOLAREN; 5,4' DIMETHYLPSOLAREN; 5,8 METHOXYPSOLAREN; 6,5 DIMETHYLANGELICIN; 8 METHOXYPSOLAREN; ANGELICIN; FUROCOUMARIN DERIVATIVE; IMMUNOGLOBULIN ENHANCER BINDING PROTEIN; PSORALEN; PYROGALLOL; UNCLASSIFIED DRUG;

ARTICLE; BACTERIAL CELL; CELL CULTURE; CONTROLLED STUDY; CYSTIC FIBROSIS; DRUG SCREENING; DRUG TARGETING; IC 50; MOLECULAR DOCKING; MOLECULAR LIBRARY; PSEUDOMONAS AERUGINOSA; SCREENING; VIRTUAL SCREENING;

BINDING SITES; CELL LINE; COMPUTER SIMULATION; CYSTIC FIBROSIS; DATABASES, FACTUAL; ELECTROPHORETIC MOBILITY SHIFT ASSAY; HUMANS; HYDROGEN BONDING; INTERLEUKIN-8; LIGANDS; NF-KAPPA B; PROTEIN STRUCTURE, TERTIARY; PSORALENS;

PSEUDOMONAS AERUGINOSA;

EID: 78249265983     PISSN: 09680896     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmc.2010.09.063     Document Type: Article

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