Comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) studies on α 1A-adrenergic receptor antagonists based on pharmacophore molecular alignment

International Journal of Molecular Sciences

Volumn 12, Issue 10, 2011, Pages 7022-7037

  Zhao, Xin ^a,b   Chen, Minsheng ^a   Huang, Biyun ^a   Ji, Hong ^a   Yuan, Mu ^a  

^a GUANGZHOU MEDICAL UNIVERSITY   (China)

^b GUANGDONG INDUSTRY TECHNICAL COLLEGE   (China)

Author keywords

1A adrenoceptor antagonists; Activity prediction; CoMFA; CoMSIA; GALAHAD; Pharmacophore based molecular alignment

Indexed keywords

ALPHA ADRENERGIC RECEPTOR BLOCKING AGENT; ASPARAGINE; CYSTEINE; PHENYLALANINE; SERINE; TRYPTOPHAN; TYROSINE; ALPHA 1 ADRENERGIC RECEPTOR; ALPHA 1 ADRENERGIC RECEPTOR BLOCKING AGENT;

ARTICLE; BINDING SITE; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPARATIVE MOLECULAR SIMILARITY INDICES ANALYSIS; DRUG STRUCTURE; ENZYME ACTIVE SITE; HUMAN; HYDROGEN BOND; HYDROPHILICITY; HYDROPHOBICITY; NONHUMAN; NORMAL DISTRIBUTION; PHARMACOPHORE; PREDICTION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STATIC ELECTRICITY; CHEMICAL PHENOMENA; CHEMISTRY; METABOLISM; MOLECULAR DOCKING;

ADRENERGIC ALPHA-1 RECEPTOR ANTAGONISTS; BINDING SITES; CATALYTIC DOMAIN; HYDROGEN BONDING; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; MOLECULAR DOCKING SIMULATION; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; RECEPTORS, ADRENERGIC, ALPHA-1; STATIC ELECTRICITY;

EID: 80055053451     PISSN: None     EISSN: 14220067     Source Type: Journal    
DOI: 10.3390/ijms12107022     Document Type: Article

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