3D QSAR pharmacophore model based on diverse IKKβ inhibitors

Journal of Molecular Modeling

Volumn 17, Issue 2, 2011, Pages 209-218

  Nagarajan, Shanthi ^a,b   Ahmed, Asif ^a,b,c   Choo, Hyunah ^a   Cho, Yong Seo ^a   Oh, Kwang Seok ^d   Lee, Byung Ho ^d   Shin, Kye Jung ^a   Pae, Ae Nim ^a  

^a Korea Institute of Science and Technology   (South Korea)

^b University of Science and Technology (UST)   (South Korea)

^c KHULNA UNIVERSITY   (Bangladesh)

^d Korea Research Institute of Chemical Technology   (South Korea)

Author keywords

Enrichment; HypoGen; IKK; Inhibitor kappa B kinase; Pharmacophore; Virtual screening

Indexed keywords

4 (2 AMINOETHYLAMINO) 1,8 DIMETHYLIMIDAZO[1,2 A]QUINOXALINE; 6 CHLORO 7 METHOXY 8 (2 METHYLNICOTINAMIDO) BETA CARBOLINE; BCR ABL PROTEIN; CYCLIN DEPENDENT KINASE; EPIDERMAL GROWTH FACTOR RECEPTOR; G PROTEIN COUPLED RECEPTOR; I KAPPA B KINASE BETA; JANUS KINASE; MITOGEN ACTIVATED PROTEIN KINASE; PROSTAGLANDIN SYNTHASE; TPCA1; UNCLASSIFIED DRUG;

ARTICLE; CORRELATION ANALYSIS; CORRELATION COEFFICIENT; COST BENEFIT ANALYSIS; DRUG TARGETING; HYDROGEN BOND; HYDROPHOBICITY; IC 50; MOLECULAR MODEL; PHARMACOPHORE; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

CATALYTIC DOMAIN; I-KAPPA B KINASE; MODELS, BIOLOGICAL; MODELS, CHEMICAL; MODELS, MOLECULAR; NF-KAPPA B; PROTEIN KINASE INHIBITORS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SIGNAL TRANSDUCTION;

EID: 79551596210     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-010-0714-8     Document Type: Article

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