YAKHAK HOEJI (약학회지)

The Pharmaceutical Society of Korea (대한약학회)
권호 표지

Conformational and Molecular Dynamical Properties of Damaged DNA

손상된 핵산의 구조와 분자동력학적 특성

  • Received : 2010.01.07
  • Accepted : 2010.01.12
  • Published : 2010.02.28
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Abstract

Some of the benzopyrene (BP)-DNA adduct are known to build intercalated motif between flanking base pairs in damaged DNA depending on the structural condition. The size of benzopyrene itself is definitely not comparable with any of the DNA bases and thus the question whether the lesion of some base pair by insertion of benzopyrene can happen with or without a dramatic distortion of the helical structure is a highly interesting theme. In this work we used a molecular dynamics simulation based on the theory of molecular mechanics. The specific consequences about the structural properties of the intercalated structures and benzopyrene motif in minor groove of the double helix are deduced after 5 ns simulation time.

Keywords

Acknowledgement

Supported by : 충남대학교

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