Allosteric analysis of glucocorticoid receptor-DNA interface induced by cyclic Py-Im polyamide: a molecular dynamics simulation study.

ABSTRACT:

Background

It has been extensively developed in recent years that cell-permeable small molecules, such as polyamide, can be programmed to disrupt transcription factor-DNA interfaces and can silence aberrant gene expression. For example, cyclic pyrrole-imidazole polyamide that competes with glucocorticoid receptor (GR) for binding to glucocorticoid response elements could be expected to affect the DNA dependent binding by interfering with the protein-DNA interface. However, how such small molecules affect the transcription factor-DNA interfaces and gene regulatory pathways through DNA structure distortion is not fully understood so far.

Methodology/principal findings

In the present work, we have constructed some models, especially the ternary model of polyamides+DNA+GR DNA-bi

SUBMITTER: Wang Y 

PROVIDER: S-EPMC3331974 | biostudies-literature | 2012

REPOSITORIES: biostudies-literature