Biochemical evaluation of virtual screening methods reveals a cell-active inhibitor of the cancer-promoting phosphatases of regenerating liver

European Journal of Medicinal Chemistry

Volumn 88, Issue , 2014, Pages 89-100

  Hoeger, Birgit ^a   Diether, Maren ^a   Ballester, Pedro J ^b,c   Köhn, Maja ^a  

^a EUROPEAN MOLECULAR BIOLOGY LABORATORY   (Germany)

^b WELLCOME TRUST SANGER INSTITUTE   (United Kingdom)

^c AIX MARSEILLE UNIVERSITY   (France)

Author keywords

2 Cyano 2 ene esters; Dual specificity phosphatases; Enzyme inhibitors; Phosphatases of regenerating liver; Thienopyridone; Virtual screening methods

Indexed keywords

ANTINEOPLASTIC AGENT; PHOSPHATASE OF REGENERATING LIVER INHIBITOR; PROTEIN TYROSINE PHOSPHATASE INHIBITOR; RHODANINE; UNCLASSIFIED DRUG; ENZYME INHIBITOR; MOLECULAR LIBRARY; PHOSPHATASE;

ANTIPROLIFERATIVE ACTIVITY; ARTICLE; CELL MIGRATION; CELL PROLIFERATION; COMPUTER MODEL; CONTROLLED STUDY; CRYSTAL STRUCTURE; DRUG CONFORMATION; DRUG CYTOTOXICITY; DRUG SCREENING; DRUG TARGETING; ENZYME INHIBITION; HUMAN; HUMAN CELL; IC50; MOLECULAR DOCKING; VIRTUAL SCREENING; ANTAGONISTS AND INHIBITORS; CELL CULTURE; CELL MOTION; CELL SURVIVAL; CHEMICAL STRUCTURE; CHEMISTRY; DOSE RESPONSE; DRUG EFFECTS; ENZYMOLOGY; HEK293 CELL LINE; HIGH THROUGHPUT SCREENING; LIVER; LIVER REGENERATION; METABOLISM; MOLECULAR LIBRARY; NEOPLASM; PATHOLOGY; PHARMACOLOGY; STRUCTURE ACTIVITY RELATION;

CELL MOVEMENT; CELL PROLIFERATION; CELL SURVIVAL; CELLS, CULTURED; DOSE-RESPONSE RELATIONSHIP, DRUG; ENZYME INHIBITORS; HEK293 CELLS; HIGH-THROUGHPUT SCREENING ASSAYS; HUMANS; LIVER; LIVER REGENERATION; MOLECULAR DOCKING SIMULATION; MOLECULAR STRUCTURE; NEOPLASMS; PHOSPHORIC MONOESTER HYDROLASES; SMALL MOLECULE LIBRARIES; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84911478385     PISSN: 02235234     EISSN: 17683254     Source Type: Journal    
DOI: 10.1016/j.ejmech.2014.08.060     Document Type: Article

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