3D-QSAR studies on thiazolidin-4-one S1P 1 receptor agonists by CoMFA and CoMSIA

International Journal of Molecular Sciences

Volumn 12, Issue 10, 2011, Pages 6502-6516

  Qian, Chuiwen ^a   Zheng, Junxia ^b   Xiao, Gaokeng ^a   Guo, Jialiang ^a   Yang, Zhaoqi ^a   Huang, Li ^a   Chao, Wei ^a   Rao, Longyi ^a   Sun, Pinghua ^a  

^a JINAN UNIVERSITY   (China)

^b GUANGDONG UNIVERSITY OF TECHNOLOGY   (China)

Author keywords

CoMFA; CoMSIA; QSAR; S1P 1 receptor agonists; Thiazolidin 4 one

Indexed keywords

2 IMINO THIAZOLIDIN 4 ONE DERIVATIVE; SPHINGOSINE 1 PHOSPHATE RECEPTOR AGONIST; THIAZOLIDINE DERIVATIVE; UNCLASSIFIED DRUG; SPHINGOSINE 1 PHOSPHATE RECEPTOR;

ARTICLE; BOOTSTRAPPING; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPARATIVE MOLECULAR SIMILARITY INDICES ANALYSIS; DRUG DESIGN; DRUG POTENCY; DRUG STRUCTURE; HYDROGEN BOND; HYDROPHOBICITY; MOLECULAR DYNAMICS; MOLECULAR MODEL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STATIC ELECTRICITY; STEREOSPECIFICITY; THREE DIMENSIONAL QUANTITATIVE STRUCTURE ACTIVITY RELATION; VALIDATION PROCESS; AGONISTS; CHEMICAL PHENOMENA; CHEMISTRY; METABOLISM;

HYDROGEN BONDING; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; RECEPTORS, LYSOSPHINGOLIPID; STATIC ELECTRICITY; THIAZOLIDINES;

EID: 80055050103     PISSN: None     EISSN: 14220067     Source Type: Journal    
DOI: 10.3390/ijms12106502     Document Type: Article

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