An evaluation of indirubin analogues as phosphorylase kinase inhibitors

Journal of Molecular Graphics and Modelling

Volumn 61, Issue , 2015, Pages 231-242

  Begum, Jaida ^a   Skamnaki, Vassiliki T ^b   Moffatt, Colin ^a   Bischler, Nicolas ^c   Sarrou, Josephine ^c   Skaltsounis, Alexios Leandros ^d   Leonidas, Demetres D ^b   Oikonomakos, Nikos G ^c   Hayes, Joseph M ^a  

^a UNIVERSITY OF CENTRAL LANCASHIRE   (United Kingdom)

^b UNIVERSITY OF THESSALY   (Greece)

^c INSTITUTE OF BIOLOGY   (Greece)

^d UNIVERSITY OF ATHENS   (Greece)

Author keywords

Glycogen phosphorylasea; Indirubins; Kinase inhibitors; QM MM PBSA; Sigma hole; Type 2 diabetes

Indexed keywords

CELL DEATH; DIGITAL STORAGE; ENZYME ACTIVITY; ENZYME INHIBITION; ENZYMES; FREE ENERGY; LIGANDS; PHOSPHORYLATION;

GLYCOGEN PHOSPHORYLASEA; INDIRUBINS; KINASE INHIBITORS; QM/MM-PBSA; SIGMA-HOLE; TYPE-2 DIABETES;

BINDING ENERGY;

6 BROMO 5 METHYLINDIRUBIN; 6 BROMO 5 METHYLINDIRUBIN 3' ACETOXIME; 6 BROMO 5 NITROINDIRUBIN 3' ACETOXIME; 6 BROMO 5 NITROINDIRUBIN 3' OXIME; 6 BROMO N METHYLINDIRUBIN; 6 BROMO N METHYLINDIRUBIN 3' ACETOXIME; 6 BROMOINDIRUBIN; 6 BROMOINDIRUBIN 3' ACETOXIME; 6 BROMOINDIRUBIN 3' OXIME; 6 CHLOROINDIRUBIN; 6 CHLOROINDIRUBIN 3' OXIME; 6 FLUOROINDIRUBIN; 6 FLUOROINDIRUBIN 3' OXIME; 6 IODOINDIRUBIN 3' OXIME; 6 METHOXINDIRUBIN 3' ACETOXIME; 6 METHOXINDIRUBIN 3' OXIME; 6 VINYLINDIRUBIN; 6 VINYLINDIRUBIN 3' ACETOXIME; 6 VINYLINDIRUBIN 3' OXIME; 6,5 DICHLOROINDIRUBIN 3' ACETOXIME; 6,5 DICHLOROINDIRUBIN 3' OXIME; 6,6 DIBROMOINDIRUBIN 3' OXIME; 7 BROMOINDIRUBIN 3' ACETOXIME; 7 BROMOINDIRUBIN 3' OXIME; ANTINEOPLASTIC AGENT; INDIRUBIN; INDIRUBIN 3' ACETOXIME; INDIRUBIN 3' METHOXIME; INDIRUBIN 3' OXIME; UNCLASSIFIED DRUG; UNINDEXED DRUG; 7-BROMOINDIRUBIN-3'-OXIME; ANTIDIABETIC AGENT; CDK2 PROTEIN, HUMAN; CDK5 PROTEIN, HUMAN; CYCLIN DEPENDENT KINASE 2; CYCLIN DEPENDENT KINASE 5; GLYCOGEN SYNTHASE KINASE 3; GLYCOGEN SYNTHASE KINASE 3 ALPHA; GLYCOGEN SYNTHASE KINASE 3 BETA; INDOLE DERIVATIVE; LIGAND; OXIME; PHOSPHORYLASE KINASE; PROTEIN BINDING; PROTEIN KINASE INHIBITOR;

ANIMAL TISSUE; ANTINEOPLASTIC ACTIVITY; ARTICLE; BINDING AFFINITY; BINDING SITE; DRUG POTENCY; DRUG SCREENING; DRUG SELECTIVITY; ENZYME INHIBITION; FEMALE; MOLECULAR DOCKING; MOLECULAR MECHANICS; NONHUMAN; PRIORITY JOURNAL; QUANTUM MECHANICS; RABBIT; STRUCTURE ACTIVITY RELATION; ANTAGONISTS AND INHIBITORS; CHEMISTRY; COMPUTER INTERFACE; HIGH THROUGHPUT SCREENING; HUMAN; MOLECULAR GENETICS; PROTEIN MOTIF; PROTEIN SECONDARY STRUCTURE; PROTEIN TERTIARY STRUCTURE; THERMODYNAMICS;

AMINO ACID MOTIFS; BINDING SITES; CYCLIN-DEPENDENT KINASE 2; CYCLIN-DEPENDENT KINASE 5; GLYCOGEN SYNTHASE KINASE 3; HIGH-THROUGHPUT SCREENING ASSAYS; HUMANS; HYPOGLYCEMIC AGENTS; INDOLES; LIGANDS; MOLECULAR DOCKING SIMULATION; MOLECULAR SEQUENCE DATA; OXIMES; PHOSPHORYLASE KINASE; PROTEIN BINDING; PROTEIN KINASE INHIBITORS; PROTEIN STRUCTURE, SECONDARY; PROTEIN STRUCTURE, TERTIARY; STRUCTURE-ACTIVITY RELATIONSHIP; THERMODYNAMICS; USER-COMPUTER INTERFACE;

EID: 84941356336     PISSN: 10933263     EISSN: 18734243     Source Type: Journal    
DOI: 10.1016/j.jmgm.2015.07.010     Document Type: Article

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