On the origin of the decrease in stability of the DNA hairpin d(GCGAAGC) on complexation with aromatic drugs

Kostjukov VV; Lantushenko AO; Davies DB; Evstigneev MP

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On the origin of the decrease in stability of the DNA hairpin d(GCGAAGC) on complexation with aromatic drugs

机译：DNA发夹d（GCGAAGC）与芳香族药物络合后稳定性下降的根源

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Molecular dynamics simulations of drug-DNA complexes have been carried out in order to explain the experimentally observed decrease in 14 thermal stability of the DNA hairpin d(GCGAAGC) on binding the aromatic drug molecules, daunomycin, ethidium bromide, novantrone and proflavine. This complexation behavior is in contrast to the stabilizing effect of the same aromatic drug molecules on DNA duplexes. Analysis of the energy parameters and the hydration properties of the complexes shows that the main factor correlating with the decrease in melting temperatures of the drug-hairpin complexes is the number of water bridges, with a reduction of at least 40% on ligand binding. (c) 2007 Elsevier B.V. All rights reserved.

机译：为了解释实验观察到的DNA发夹d（GCGAAGC）在结合芳香族药物分子，道诺霉素，溴化乙锭，诺望酮和黄酮前体中14的热稳定性下降，已经进行了药物-DNA配合物的分子动力学模拟。这种络合行为与相同的芳香族药物分子对DNA双链体的稳定作用相反。对配合物的能量参数和水合性质的分析表明，与药物-发夹配合物的熔融温度降低相关的主要因素是水桥的数目，配体结合减少了至少40％。（c）2007 Elsevier B.V.保留所有权利。

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来源
《Biophysical Chemistry: An International Journal Devoted to the Physical Chemistry of Biological Phenomena》 |2007年第1期|共4页
作者
Kostjukov VV; Lantushenko AO; Davies DB; Evstigneev MP;
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原文格式 PDF
正文语种 eng
中图分类生物化学;
关键词
d(GCGAAGC); aromatic ligand; water bridges; thermal stability; molecular dynamics; DIFFERENT BASE SEQUENCE; AQUEOUS-SOLUTION; MINOR-GROOVE; AGENT MITOXANTRONE; HYDRATION SHELL; PROTEIN; BINDING; DEOXYTETRANUCLEOTIDES; INTERCALATION; REPLICATION;

机译：d（GCGAAGC）;芳族配体;水桥;热稳定性;分子动力学;不同的碱基序列;水溶液;次要凹槽;配剂米托蒽醌;水合壳;蛋白质;结合;脱氧四核核苷酸;嵌入;复制;

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1. On the origin of the decrease in stability of the DNA hairpin d(GCGAAGC) on complexation with aromatic drugs [J] . Kostjukov VV, Lantushenko AO, Davies DB, Biophysical Chemistry: An International Journal Devoted to the Physical Chemistry of Biological Phenomena . 2007,第1期

机译：DNA发夹d（GCGAAGC）与芳香族药物络合后稳定性下降的根源
2. NMR Study of Complexation of Aromatic Ligands with Heptadeoxynucleotide 5'-d(GCGAAGC) Froming Stable Hairpin Structure in Aqueous Solution [J] . A. N. Veselkov, R. J. Eaton, A. V. Semanin, Molecular Biology . 2002,第5期

机译：水溶液中稳定的发夹结构引起的芳香配体与七烷氧基核苷酸5'-d（GCGAAGC）的核磁共振研究
3. Simulations of DNA Pol λ R517 Mutants Indicate 517's Crucial Role in Ternary Complex Stability and Suggest DNA Slippage Origin [J] . Meredith C. Foley, Tamar Schlick Journal of the American Chemical Society . 2008,第12期

机译：DNA PolλR517突变体的模拟表明517在三元复合物稳定性中的关键作用并暗示DNA滑动的起源
4. Structure Stabilizing Role of Aromatic Interactions is Decided by Spatial Arrangement of Aromatic Pairs: A Case Study With Designed Peptide β-Hairpins [C] . Kamlesh Madhusudan Makwana, Radhakrishnan Mahalakshmi American Peptide Symposium . 2015

机译：通过芳香对的空间排列来决定芳族相互作用的结构稳定作用：用设计的肽β-发夹进行案例研究
5. Investigation of the stabilities of PNA-DNA and DNA-DNA complexes containing novel aromatic residues. [D] . Liu, Cuiling. 2006

机译：研究含有新的芳香族残基的PNA-DNA和DNA-DNA复合物的稳定性。
6. Complex of the herpes simplex virus type 1 origin binding protein UL9 with DNA as a platform for the design of a new type of antiviral drugs [O] . N.P. Bazhulina, A.N. Surovaya, Y.G. Gursky, -1

机译：单纯疱疹病毒1型起源结合蛋白UL9与DNA的复合体作为设计新型抗病毒药物的平台
7. Simulations of DNA Pol l R517 Mutants Indicate 517s Crucial Role in Ternary Complex Stability and Suggest DNA Slippage Origin [O] . -1

机译：DNA Pol L R517突变体的模拟表明，三元复合稳定性中的至关重要作用，并提出DNA滑动起源

On the origin of the decrease in stability of the DNA hairpin d(GCGAAGC) on complexation with aromatic drugs

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