Advances in the computational development of DNA methyltransferase inhibitors.

Abstract:

:DNA methylation is an epigenetic change that results in the addition of a methyl group at the carbon-5 position of cytosine residues. The process is mediated by DNA methyltransferases (DNMTs), a family of enzymes for which inhibition is a promising strategy for the treatment of cancer and other diseases. Here, we review the current status of the computational studies directed to rationalize, at the molecular level, the enzymatic activity of DNMT inhibitors. We also review successful virtual screenings to identify inhibitors with novel scaffolds as well as the emerging efforts to characterize the dynamic behavior of DNMTs. Thus, computational approaches form part of multidisciplinary efforts to further advance epigenetic therapies.

journal_name

Drug Discov Today

journal_title

Drug discovery today

authors

Medina-Franco JL,Caulfield T

doi

10.1016/j.drudis.2011.02.003

subject

Has Abstract

pub_date

2011-05-01 00:00:00

pages

418-25

issue

9-10

eissn

1359-6446

issn

1878-5832

pii

S1359-6446(11)00035-3

journal_volume

16

pub_type

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