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Role of structural and energetic factors in regulating repair of a bulky DNA lesion with different opposite partner bases.

Abstract：

:Extensive molecular modeling with molecular dynamics simulations and van der Waals energy analyses were used to elucidate the striking finding that a mutagenic benzo[a]pyrene-derived DNA lesion, the base-displaced intercalated 10R-(+)-cis-anti-B[a]P-N(2)-dG (G*), manifests large differences in nucleotide excision repair (NER) efficiencies in DNA duplexes, which depend on the identities of the partner base opposite G*. The nature of the partner base causes marked differences in the extent of its major groove extrusion and dynamics, as well as energetic stability of the intercalation pocket that parallels the relative NER efficiencies.

journal_name

Biochemistry

journal_title

Biochemistry

authors

Mu H,Kropachev K,Chen Y,Zhang H,Cai Y,Geacintov NE,Broyde S

doi

10.1021/bi4009177

subject

Has Abstract

pub_date

2013-08-20 00:00:00

pages

5517-21

issue

33

eissn

0006-2960

issn

1520-4995

journal_volume

52

pub_type

杂志文章

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