Identification of novel inhibitors of extracellular signal-regulated kinase 2 based on the structure-based virtual screening

Bioorganic and Medicinal Chemistry Letters

Volumn 18, Issue 20, 2008, Pages 5372-5376

  Park, Hwangseo ^a   Bahn, Young Jae ^b   Jeong, Dae Gwin ^b   Woo, Eui Jeon ^b   Kwon, Jung Sun ^b   Ryu, Seong Eon ^b  

^a Sejong University   (South Korea)

^b Korea Research Institute of Bioscience and Biotechnology (KRIBB)   (South Korea)

Author keywords

Anticancer agents; Docking; ERK2; Inhibitor; Virtual screening

Indexed keywords

3 BENZYL 5 METHYLENE 2 THIOXOTHIAZOLIDIN 4 ONE; 5 (2 AMINO 4 PYRIMIDINYL) 4 (4 FLUOROPHENYL) 1 (4 PIPERIDINYL)IMIDAZOLE; 5 BENZYLOXY 2 (4 PHENYL 1H PYRAZOL 3 YL)PHENOL; ADENOSINE TRIPHOSPHATE; BENZAMIDE DERIVATIVE; MITOGEN ACTIVATED PROTEIN KINASE 1; MITOGEN ACTIVATED PROTEIN KINASE INHIBITOR; N (5 AMINO 1 PHENYL 1H [1,2,4]TRIAZOL 3 YL)BENZAMIDE; PYRAZOLE DERIVATIVE; THIAZOLIDINE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; BINDING SITE; CRYSTAL STRUCTURE; DRUG DESIGN; DRUG IDENTIFICATION; DRUG STABILITY; DRUG STRUCTURE; ENZYME ASSAY; ENZYME INHIBITION; IC 50; IN VITRO STUDY; MOLECULAR DOCKING; SIMULATION; SOLVATION; STRUCTURE ACTIVITY RELATION; VIRTUAL REALITY;

ADENOSINE TRIPHOSPHATE; ANTINEOPLASTIC AGENTS; BINDING SITES; CHEMISTRY, PHARMACEUTICAL; DRUG DESIGN; ENZYME INHIBITORS; HUMANS; INHIBITORY CONCENTRATION 50; MITOGEN-ACTIVATED PROTEIN KINASE 1; MODELS, CHEMICAL; MODELS, MOLECULAR; MODELS, STATISTICAL; MOLECULAR CONFORMATION; NEOPLASMS; P38 MITOGEN-ACTIVATED PROTEIN KINASES;

EID: 53349102835     PISSN: 0960894X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmcl.2008.09.058     Document Type: Article

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