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- W2912759115 abstract "This chapter summarizes the most commonly used computer-based approaches to identify and optimize small-molecule inhibitors and modulators. It discusses the progress on small-molecule inhibitors of epigenetic targets that were identified by computer-based approaches and focuses on histone-modifying enzymes. Computer-based methods in drug discovery are frequently split into disciplines that focus on either structure-based approach or ligand-based approach. The classical definition of a pharmacophore, which is the spatial arrangement of functional groups in a molecule necessary to mediate a biological effect, is based on a 3D point of view of molecules. Quantitative structure-activity relationship (QSAR) techniques are the most prominent computational means to support chemistry within ligand-based drug design projects. Histone methyltransferases can be subdivided into three classes: SET-domain containing lysine methyltransferases, non-SET-domain lysine methyltransferases, and protein arginine methyltransferases (PRMTs). All of them use S-adenosyl-l-methionine (SAM) as a co-substrate for methylation, and S-adenosylhomocysteine (SAH) is formed as a by-product." @default.
- W2912759115 created "2019-02-21" @default.
- W2912759115 creator A5008197229 @default.
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- W2912759115 creator A5059430227 @default.
- W2912759115 creator A5089212888 @default.
- W2912759115 creator A5090467999 @default.
- W2912759115 date "2019-02-06" @default.
- W2912759115 modified "2023-09-25" @default.
- W2912759115 title "Computer‐based Lead Identification for Epigenetic Targets" @default.
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