New leads for selective GSK-3 inhibition: Pharmacophore mapping and virtual screening studies

Journal of Computer-Aided Molecular Design

Volumn 20, Issue 1, 2006, Pages 55-66

  Patel, Dhilon S ^a   Bharatam, Prasad V ^a  

^a NATIONAL INSTITUTE OF PHARMACEUTICAL EDUCATION AND RESEARCH NIPER   (India)

Author keywords

Diabetes mellitus; Glycogen Synthase Kinase 3 (GSK 3); Molecular docking; Pharmacophore mapping; Virtual screening

Indexed keywords

DIAGNOSIS; ENZYMES; MAPPING; MOLECULAR MODELING; NEURODEGENERATIVE DISEASES; PHARMACODYNAMICS; QUERY PROCESSING; VAN DER WAALS FORCES;

DIABETES MELLITUS; GLYCOGEN SYNTHASE KINASE-3; HUMAN DISEASE; MOLECULAR DOCKING; PHARMACOPHORE MAPPING; PHARMACOPHORES; THREONINE KINASE; TYPE 2 DIABETES MELLITUS; VIRTUAL SCREENING;

AMINO ACIDS;

2 (2,4 DICHLOROPHENYL) 3 (1 METHYL 3 INDOLYL)MALEIMIDE; 3 ANILINO 4 ARYLMALEINAMIDE; 5;5' DIBROMO INDIRUBIN; ALSTERPAULLONE; AZAINDOLYLMALEINAMIDE DERIVATIVE; BIS 7 AZAINDOLYLMALEIMIDE; CHIR 98023; DOCKING PROTEIN; ENZYME INHIBITOR; GLYCOGEN SYNTHASE KINASE 3; GLYCOGEN SYNTHASE KINASE 3 INHIBITOR; HTS 09029; HYMENIALDISINE; LIGAND; NCI 211229; NCI 620468; NCI 624414; NCI 624418; NCI 625845; NCI 651239; NCI 697654; OXADIAZOLE DERIVATIVE; RDR 01708; RDR 0178; SB 216673; STAUROSPORINE; TRIAZOLE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; COMPUTER AIDED DESIGN; COMPUTER PROGRAM; DRUG STRUCTURE; ENZYME INHIBITION; PEPTIDE MAPPING; PHARMACOPHORE; PRIORITY JOURNAL; PROTEIN ANALYSIS; PROTEIN TARGETING; STRUCTURE ANALYSIS; VALIDATION PROCESS;

EID: 33745174118     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-006-9036-4     Document Type: Article

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