Molecular Basis of Differential Selectivity of Cyclobutyl-Substituted Imidazole Inhibitors against CDKs: Insights for Rational Drug Design

PLoS ONE

Volumn 8, Issue 9, 2013, Pages

  Rath, Soumya Lipsa ^a   Senapati, Sanjib ^a  

^a INDIAN INSTITUTE OF TECHNOLOGY MADRAS   (India)

Author keywords

[No Author keywords available]

Indexed keywords

CYCLIN DEPENDENT KINASE 2; CYCLIN DEPENDENT KINASE 5; CYCLIN DEPENDENT KINASE INHIBITOR; CYCLIN E; N [1 (3 HYDROXY CYCLOBUTYL) 1H IMIDAZOL 4 YL] 2 (4 METHOXYPHENYL)ACETAMIDE; N [1 (3 HYDROXYCYCLOBUTYL) 1H IMIDAZOL 4 YL] 2 (4 METHOXYPHENYL)ACETAMIDE; N [1 [3 (ACETYLAMINO)CYCLOBUTYL] 1H IMIDAZOL 4 YL]2 (4 METHOXYPHENYL)ACETAMIDE; PROTEIN P25; ROSCOVITINE; UNCLASSIFIED DRUG;

ARTICLE; BINDING SITE; CELL CYCLE REGULATION; CONTROLLED STUDY; CRYSTAL STRUCTURE; DRUG POTENCY; DRUG PROTEIN BINDING; DRUG SELECTIVITY; DRUG STRUCTURE; ENERGY TRANSFER; ENZYME INHIBITION; IC 50; MOLECULAR DYNAMICS; PROTEIN LIPID INTERACTION; STEREOSPECIFICITY; STRUCTURE ACTIVITY RELATION;

ANIMALS; CYCLIN E; CYCLIN-DEPENDENT KINASE 2; CYCLIN-DEPENDENT KINASE 5; DRUG DESIGN; HUMANS; IMIDAZOLES; LIGANDS; MOLECULAR DOCKING SIMULATION; MOLECULAR DYNAMICS SIMULATION; NERVE TISSUE PROTEINS; NEUROPROTECTIVE AGENTS; PROTEIN BINDING; PROTEIN INTERACTION DOMAINS AND MOTIFS; PROTEIN KINASE INHIBITORS; PURINES; STRUCTURE-ACTIVITY RELATIONSHIP; THERMODYNAMICS;

EID: 84884139024     PISSN: None     EISSN: 19326203     Source Type: Journal    
DOI: 10.1371/journal.pone.0073836     Document Type: Article

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