Structure-based virtual screening approach to the discovery of novel inhibitors of factor-inhibiting HIF-1: Identification of new chelating groups for the active-site ferrous ion

Bioorganic and Medicinal Chemistry

Volumn 17, Issue 22, 2009, Pages 7769-7774

  Ko, Sungmin ^a   Lee, Myung Kyu ^b   Shin, Dongkyu ^c   Park, Hwangseo ^a  

^a Sejong University   (South Korea)

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

^c CrystalGenomics Inc   (South Korea)

Author keywords

Anemia; Docking; FIH1; Inhibitor; Virtual screening

Indexed keywords

2 [1,2,4]TRIAZOLO[3,4 B][1,3,4]THIADIAZOL 3 YLQUINOLINE; CARBOXYLIC ACID DERIVATIVE; FERROUS ION; HYPOXIA INDUCIBLE FACTOR 1; N BENZO[1,2,5]OXADIAZOL 4 YLAMIDE; OXADIAZOLE DERIVATIVE; QUINOLINE DERIVATIVE; SULFONAMIDE; THIADIAZOLE DERIVATIVE; UNCLASSIFIED DRUG;

ANEMIA; ARTICLE; DRUG ACTIVITY; DRUG SCREENING; DRUG STRUCTURE; MOLECULAR DOCKING; SIMULATION; SOLVATION; STRUCTURE ACTIVITY RELATION;

ALGORITHMS; CARBOXYLIC ACIDS; CATALYTIC DOMAIN; CHELATING AGENTS; COMPUTER SIMULATION; DRUG EVALUATION, PRECLINICAL; ENZYME INHIBITORS; FERROUS COMPOUNDS; IONS; LIGANDS; QUINOLINES; REPRESSOR PROTEINS; STRUCTURE-ACTIVITY RELATIONSHIP; SULFONAMIDES; TRIAZOLES;

EID: 72049121488     PISSN: 09680896     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmc.2009.09.034     Document Type: Article

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