IKK-β inhibitors: An analysis of drug-receptor interaction by using Molecular Docking and Pharmacophore 3D-QSAR approaches

Journal of Molecular Graphics and Modelling

Volumn 29, Issue 1, 2010, Pages 72-81

  Lauria, Antonino ^a   Ippolito, Mario ^a   Fazzari, Marco ^a,b,c   Tutone, Marco ^a   Di Blasi, Francesco ^c   Mingoia, Francesco ^b   Almerico, Anna Maria ^a  

^a UNIVERSITY OF PALERMO   (Italy)

^b CNR   (Italy)

^c CNR   (Italy)

Author keywords

Binding Database; Homology modeling; IKK ; Molecular Docking; NF kB; Pharmacophore

Indexed keywords

BINDING DATABASE; HOMOLOGY MODELING; MOLECULAR DOCKING; NF-KB; PHARMACOPHORES;

DATABASE SYSTEMS; DOCKING; MOLECULAR MODELING; TRANSCRIPTION; TRANSCRIPTION FACTORS;

DRUG INTERACTIONS;

I KAPPA B KINASE BETA; I KAPPA B KINASE INHIBITOR; IMMUNOGLOBULIN ENHANCER BINDING PROTEIN;

APOPTOSIS; ARTICLE; DRUG DESIGN; DRUG RECEPTOR BINDING; DRUG SELECTIVITY; IC 50; INFLAMMATION; MOLECULAR DOCKING; MOLECULAR INTERACTION; PHARMACOPHORE; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; VALIDATION PROCESS; X RAY CRYSTALLOGRAPHY;

AMINO ACID SEQUENCE; BINDING SITES; HUMANS; I-KAPPA B KINASE; MODELS, MOLECULAR; MOLECULAR SEQUENCE DATA; PROTEIN KINASE INHIBITORS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; RECEPTORS, DRUG; STRUCTURAL HOMOLOGY, PROTEIN;

EID: 77955770654     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2010.04.008     Document Type: Article

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