title: Computer- and structure-based lead design for epigenetic targets.
abstract: The term epigenetics is defined as inheritable changes that influence the outcome of a phenotype without changes in the genome. Epigenetics is based upon DNA methylation and posttranslational histone modifications. While there is much known about reversible acetylation as a posttranslational modification, research on reversible histone methylation is still emerging, especially with regard to drug discovery. As aberrant epigenetic modifications have been linked to many diseases, inhibitors of histone modifying enzymes are very much in demand. This article will summarize the progress on small molecule epigenetic inhibitors identified by structure- and computer-based approaches.
authors.affiliation: Department of Pharmaceutical Chemistry, Martin-Luther University of Halle-Wittenberg, 06120 Halle/Saale, Germany.
authors.forename: Ralf
authors.initials: R
authors.lastname: Heinke
authors.forename: Luca
authors.initials: L
authors.lastname: Carlino
authors.forename: Srinivasaraghavan
authors.initials: S
authors.lastname: Kannan
authors.forename: Manfred
authors.initials: M
authors.lastname: Jung
authors.forename: Wolfgang
authors.initials: W
authors.lastname: Sippl
mesh_terms: D003198:Computer Simulation; D018360:Crystallography, X-Ray; D015195:Drug Design; D004791:Enzyme Inhibitors / Q000138:chemical synthesis / Q000737:chemistry; D044127:Epigenesis, Genetic; D006801:Humans; D008958:Models, Molecular; D021281:Quantitative Structure-Activity Relationship; D037761:Sirtuins / Q000037:antagonists & inhibitors
chemical_list: D004791:Enzyme Inhibitors; D037761:Sirtuins