Computer- and structure-based lead design for epigenetic targets

Bioorganic and Medicinal Chemistry

Volumn 19, Issue 12, 2011, Pages 3605-3615

  Heinke, Ralf ^a   Carlino, Luca ^a   Kannan, Srinivasaraghavan ^a   Jung, Manfred ^b   Sippl, Wolfgang ^a  

^a MARTIN LUTHER UNIVERSITY HALLE WITTENBERG   (Germany)

^b UNIVERSITY OF FREIBURG   (Germany)

Author keywords

Docking; Epigenetic targets; Histone modifiers; Inhibitor design; Virtual screening

Indexed keywords

2 [1 (3 AMIDINOTHIOPROPYL) 1H INDOL 3 YL] 3 (1 METHYL 1H INDOL 3 YL)MALEIMIDE; ADS 100380; AGK 2; ALIPHATIC AMINE; AROMATIC AMINE; ARYLSPLITOMICIN; BETA PHENYLSPLITOMICIN; CAMBINOL; CD 04097; DNA METHYLTRANSFERASE INHIBITOR; ENTINOSTAT; ENZYME INHIBITOR; HISTONE ACETYLTRANSFERASE INHIBITOR; HISTONE DEACETYLASE INHIBITOR; HISTONE DEMETHYLASE INHIBITOR; HISTONE METHYLTRANSFERASE INHIBITOR; HYDROXAMIC ACID DERIVATIVE; INDOLE; JFD 00244; N PHTHALOYLTRYPTOPHAN; NSC 303530; NSC 401077; SIRTUIN INHIBITOR; STILBAMIDINE; THIOBARBITURIC ACID; TRICHOSTATIN A; TRYPTOPHAN DERIVATIVE; UNC 0224; UNCLASSIFIED DRUG; UNINDEXED DRUG; VINYLNITRILE; VORINOSTAT;

COMPUTER PROGRAM; CRYSTAL STRUCTURE; DNA METHYLATION; DRUG BINDING SITE; DRUG DESIGN; DRUG IDENTIFICATION; DRUG SCREENING; DRUG STRUCTURE; DRUG TARGETING; ENZYME INHIBITION; EPIGENETICS; GENETIC DATABASE; HIGH THROUGHPUT SCREENING; HISTONE MODIFICATION; HUMAN; LIGAND BINDING; MOLECULAR DOCKING; MOLECULAR GENETICS; NONHUMAN; PARKINSON DISEASE; QUANTITATIVE STRUCTURE ACTIVITY RELATION; REVIEW; STRUCTURAL HOMOLOGY; THREE DIMENSIONAL IMAGING; VIRTUAL REALITY;

EID: 79958244669     PISSN: 09680896     EISSN: 14643391     Source Type: Journal    
DOI: 10.1016/j.bmc.2011.01.029     Document Type: Article

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