An application of two MIFs-based tools (Volsurf+ and Pentacle) to binary QSAR: The case of a palinurin-related data set of non-ATP competitive Glycogen Synthase Kinase 3β (GSK-3β) inhibitors

European Journal of Medicinal Chemistry

Volumn 46, Issue 3, 2011, Pages 860-869

  Ermondi, Giuseppe ^a   Caron, Giulia ^a   Pintos, Isela Garcia ^b   Gerbaldo, Michela ^a   Pérez, Manuel ^b   Pérez, Daniel I ^c   Gándara, Zoila ^b   Martínez, Ana ^c   Gómez, Generosa ^b   Fall, Yagamare ^b  

^a UNIVERSITY OF TURIN   (Italy)

^b UNIVERSITY OF VIGO   (Spain)

^c INSTITUTO DE QUÍMICA MÉDICA   (Spain)

Author keywords

Alzheimer's disease; Binary QSAR; GRIND; MIFs; Palinurin; VolSurf descriptors

Indexed keywords

GLYCOGEN SYNTHASE KINASE 3 INHIBITOR; GLYCOGEN SYNTHASE KINASE 3BETA; PALINURIN; UNCLASSIFIED DRUG;

ARTICLE; BIOLOGICAL ACTIVITY; CHEMICAL ANALYSIS; CHEMICAL MODEL; DRUG STRUCTURE; MOLECULAR INTERACTION; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

4-BUTYROLACTONE; ALZHEIMER DISEASE; GLYCOGEN SYNTHASE KINASE 3; HUMANS; MODELS, BIOLOGICAL; MODELS, MOLECULAR; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SOFTWARE; STEREOISOMERISM;

EID: 79951672793     PISSN: 02235234     EISSN: 17683254     Source Type: Journal    
DOI: 10.1016/j.ejmech.2010.12.024     Document Type: Article

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