Targeting the Akt1 allosteric site to identify novel scaffolds through virtual screening

Computational Biology and Chemistry

Volumn 48, Issue , 2014, Pages 1-13

  Yilmaz, Oya Gursoy ^a   Olmez, Elif Ozkirimli ^a   Ulgen, Kutlu O ^a  

^a BOGAZICI UNIVERSITY   (Turkey)

Author keywords

Allosteric Akt inhibitor; Allosteric kinase inhibitor; Induced fit docking; Molecular docking; Pharmacophore; Virtual screening

Indexed keywords

BINDING ENERGY; DISEASES; ENZYMES; LIGANDS; PHARMACODYNAMICS; THREE DIMENSIONAL;

ALLOSTERIC AKT INHIBITOR; INDUCED FIT; KINASE INHIBITORS; MOLECULAR DOCKING; PHARMACOPHORES; VIRTUAL SCREENING;

DIAGNOSIS;

AKT1 PROTEIN, HUMAN; LIGAND; PROTEIN KINASE B; PROTEIN KINASE INHIBITOR;

ALLOSTERIC AKT INHIBITOR; ALLOSTERIC KINASE INHIBITOR; ARTICLE; BINDING SITE; CHEMICAL STRUCTURE; CHEMISTRY; DRUG ANTAGONISM; HUMAN; INDUCED FIT DOCKING; MOLECULAR DOCKING; PHARMACOPHORE; VIRTUAL SCREENING;

ALLOSTERIC AKT INHIBITOR; ALLOSTERIC KINASE INHIBITOR; INDUCED FIT DOCKING; MOLECULAR DOCKING; PHARMACOPHORE; VIRTUAL SCREENING;

ALLOSTERIC SITE; HUMANS; LIGANDS; MODELS, MOLECULAR; PROTEIN KINASE INHIBITORS; PROTO-ONCOGENE PROTEINS C-AKT;

EID: 84889041758     PISSN: 14769271     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.compbiolchem.2013.10.005     Document Type: Article

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