Fragment and knowledge-based design of selective GSK-3β inhibitors using virtual screening models

European Journal of Medicinal Chemistry

Volumn 44, Issue 6, 2009, Pages 2361-2371

  Vadivelan, S ^a,b   Sinha, Barij Nayan ^b   Tajne, Sunita ^a   Jagarlapudi, Sarma A R P ^a  

^a GVK BIOSCIENCES PVT LTD   (India)

^b BIRLA INSTITUTE OF TECHNOLOGY   (India)

Author keywords

Comparative model; Docking; Glycogen Synthase Kinase 3 ; HypoGen; Pharmacophore; Virtual library screening

Indexed keywords

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

ARTICLE; DRUG SCREENING; HYDROGEN BOND; KNOWLEDGE BASE; MULTIPLE LINEAR REGRESSION ANALYSIS; PHARMACOPHORE; PROTEIN INTERACTION;

ALGORITHMS; COMPUTER SIMULATION; DATABASES, FACTUAL; DRUG DESIGN; DRUG EVALUATION, PRECLINICAL; GLYCOGEN SYNTHASE KINASE 3; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR STRUCTURE; OXAZINES; PROTEIN KINASE INHIBITORS; QUINAZOLINES; REPRODUCIBILITY OF RESULTS; STEREOISOMERISM; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 64249091873     PISSN: 02235234     EISSN: 17683254     Source Type: Journal    
DOI: 10.1016/j.ejmech.2008.08.012     Document Type: Article

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