期刊
CHEMICAL PHYSICS LETTERS
卷 690, 期 -, 页码 74-81出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.cplett.2017.10.042
关键词
DNA; Mutations; Methylation; Molecular dynamics; Ab initio
资金
- Fundacion Seneca-Agencia de Ciencia y Tecnologia de la Region de Murcia [19419/PI/14-1]
Many efforts have been devoted to discover molecules able to halt methylation processes in DNA. However, less is known about the application of methyl promoters in the framework of hypomethylation diseases. Herein, we used molecular dynamics and ab initio calculations to assess the methylation ability of the parent S-adenosyl-L-methionine cofactor (SAM) and a series of analogues. Two molecules deposited in the PubChem database are shown to be promising candidates for increasing the methyl transfer rate of the original SAM. The reported data might be consequently used to guide further steps into the search of more efficient methyl donor-based drugs. (C) 2017 Elsevier B.V. All rights reserved.
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