Studies of H4R antagonists using 3D-QSAR, molecular docking and molecular dynamics

Journal of Molecular Modeling

Volumn 18, Issue 3, 2012, Pages 991-1001

  Liu, Jing ^a   Li, Yan ^a   Zhang, Hui Xiao ^a   Zhang, Shu Wei ^a   Yang, Ling ^b  

^a DALIAN UNIVERSITY OF TECHNOLOGY   (China)

^b DALIAN INSTITUTE OF CHEMICAL PHYSICS   (China)

Author keywords

3D QSAR; CoMFA; CoMSIA; Docking; H4R antagonist; MD

Indexed keywords

ANTIHISTAMINIC AGENT; G PROTEIN COUPLED RECEPTOR; HISTAMINE RECEPTOR; HISTAMINE RECEPTOR 4 ANTAGONIST; UNCLASSIFIED DRUG;

ARTICLE; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPARATIVE MOLECULAR SIMILARITY INDICES ANALYSIS; HYDROGEN BOND; HYDROPHILICITY; MOLECULAR DOCKING; MOLECULAR DYNAMICS; PARTIAL LEAST SQUARES REGRESSION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

COMPUTER SIMULATION; HISTAMINE ANTAGONISTS; HUMANS; MOLECULAR DYNAMICS SIMULATION; PROTEIN BINDING; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; RECEPTORS, G-PROTEIN-COUPLED; RECEPTORS, HISTAMINE;

EID: 84861337801     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-011-1137-x     Document Type: Article

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