Computer- and structure-based lead design for epigenetic targets

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• 作者：Ralf Heinke^a ; Luca Carlino^a ; Srinivasaraghavan Kannan^a ; Manfred Jung^b ; Wolfgang Sippl^a ; ^{wolfgang.sippl@pharmazie.uni-halle.de"" rel=""nofollow}
• 关键词：Epigenetic targets ; Histone modifiers ; Virtual screening ; Inhibitor design ; Docking
• 刊名：Bioorganic and Medicinal Chemistry
• 出版年：2011
• 出版时间：15 June 2011
• 年：2011
• 卷：19
• 期：12
• 页码：3605-3615
• 全文大小：1606 K

文摘

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.