Investigation of the structure requirement for 5-HT 6 binding affinity of arylsulfonyl derivatives: A computational study

International Journal of Molecular Sciences

Volumn 12, Issue 8, 2011, Pages 5011-5030

  Hao, Ming ^a   Li, Yan ^a   Li, Hanqing ^a   Zhang, Shuwei ^a  

^a DALIAN UNIVERSITY OF TECHNOLOGY   (China)

Author keywords

3D QSAR; 5 HT 6; CoMFA; CoMSIA; Molecular dynamics

Indexed keywords

ARYLSULFONIC ACID DERIVATIVE; SEROTONIN 6 RECEPTOR; LIGAND; PROTEIN BINDING; SEROTONIN RECEPTOR;

ARTICLE; BINDING AFFINITY; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPARATIVE MOLECULAR SIMILARITY INDICES ANALYSIS; DRUG RECEPTOR BINDING; DRUG STRUCTURE; HYDROGEN BOND; HYDROPHOBICITY; MOLECULAR DOCKING; MOLECULAR DYNAMICS; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STATIC ELECTRICITY; THREE DIMENSIONAL QUANTITATIVE STRUCTURE ACTIVITY RELATION; AMINO ACID SEQUENCE; BINDING SITE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; HUMAN; METABOLISM; MOLECULAR GENETICS; PROTEIN CONFORMATION; SEQUENCE ALIGNMENT;

AMINO ACID SEQUENCE; BINDING SITES; COMPUTER SIMULATION; HUMANS; LIGANDS; MODELS, MOLECULAR; MOLECULAR DOCKING SIMULATION; MOLECULAR DYNAMICS SIMULATION; MOLECULAR SEQUENCE DATA; MOLECULAR STRUCTURE; PROTEIN BINDING; PROTEIN CONFORMATION; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; RECEPTORS, SEROTONIN; SEQUENCE ALIGNMENT;

EID: 80052184496     PISSN: None     EISSN: 14220067     Source Type: Journal    
DOI: 10.3390/ijms12085011     Document Type: Article

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