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1
Visualization of planar drug intercalations in B-DNA.B型DNA中平面药物插入的可视化。
Nucleic Acids Res. 1975 Oct;2(10):1701-17. doi: 10.1093/nar/2.10.1701.
2
Stereochemical model for proflavin intercalation in A-DNA.原黄素嵌入A-DNA的立体化学模型。
Nucleic Acids Res. 1977 Nov;4(11):3855-61. doi: 10.1093/nar/4.11.3855.
3
Drug-nucleic acid interactions: conformational flexibility at the intercalation site.药物 - 核酸相互作用:嵌入位点的构象灵活性。
Proc Natl Acad Sci U S A. 1978 Feb;75(2):828-32. doi: 10.1073/pnas.75.2.828.
4
Analysis of the possible helical structures of nucleic acids and polynucleotides. Application of (n-h) plots.核酸和多核苷酸可能的螺旋结构分析。(n-h)图的应用。
Nucleic Acids Res. 1976 Mar;3(3):729-47. doi: 10.1093/nar/3.3.729.
5
Sequence-dependent DNA structure: the role of the sugar-phosphate backbone.序列依赖性DNA结构:糖磷酸骨架的作用
J Mol Biol. 1998 Jul 17;280(3):407-20. doi: 10.1006/jmbi.1998.1865.
6
Organization of DNA in chromatin.染色质中DNA的组织形式。
Proc Natl Acad Sci U S A. 1976 Sep;73(9):3068-72. doi: 10.1073/pnas.73.9.3068.
7
Visualization of drug-nucleic acid interactions at atomic resolution. VII. Structure of an ethidium/dinucleoside monophosphate crystalline complex, ethidium: uridylyl(3'-5') adenosine.药物与核酸相互作用的原子分辨率可视化。VII. 溴化乙锭/二核苷单磷酸晶体复合物的结构,溴化乙锭:尿苷酰基(3'-5')腺苷。
J Biomol Struct Dyn. 1984 Mar;1(5):1161-77. doi: 10.1080/07391102.1984.10507510.
8
Alteration of the DNA double helix conformation upon incorporation of mispairs as revealed by energy computations and pathways of point mutations.能量计算和点突变途径揭示错配掺入后DNA双螺旋构象的改变
Nucleic Acids Res. 1985 Jan 11;13(1):141-54. doi: 10.1093/nar/13.1.141.
9
Conformational studies of nucleic acids: IV. The conformational energetics of oligonucleotides: d(ApApApA) and ApApApA.核酸的构象研究:IV. 寡核苷酸d(ApApApA)和ApApApA的构象能量学
J Biomol Struct Dyn. 1986 Aug;4(1):69-98. doi: 10.1080/07391102.1986.10507647.
10
A proposal for a specific double-helical structure in which the polynucleotide strands intercalate instead of forming base-pairs.一种特定双螺旋结构的提议,其中多核苷酸链相互嵌入而非形成碱基对。
J Biomol Struct Dyn. 1983 Dec;1(3):743-53. doi: 10.1080/07391102.1983.10507479.

引用本文的文献

1
The structure of drug-deoxydinucleoside phosphate complex; generalized conformational behavior of intercalation complexes with RNA and DNA fragments.药物-脱氧核苷磷酸复合物的结构;与RNA和DNA片段形成的嵌入复合物的一般构象行为。
Nucleic Acids Res. 1980 Jan 11;8(1):85-97. doi: 10.1093/nar/8.1.85.
2
Molecular mechanical studies of proflavine and acridine orange intercalation.硫酸原黄素和吖啶橙嵌入的分子力学研究。
Nucleic Acids Res. 1981 Mar 25;9(6):1483-97. doi: 10.1093/nar/9.6.1483.
3
Nucleic acid binding drugs. Part XIII. Molecular motion in a drug-nucleic acid model system: thermal motion analysis of a proflavine-dinucleoside crystal structure.核酸结合药物。第十三部分。药物 - 核酸模型系统中的分子运动:原黄素 - 二核苷晶体结构的热运动分析。
Nucleic Acids Res. 1985 Aug 12;13(15):5671-84. doi: 10.1093/nar/13.15.5671.
4
Molecular mechanical simulations on double intercalation of 9-amino acridine into d(CGCGCGC) X d(GCGCGCG): analysis of the physical basis for the neighbor-exclusion principle.9-氨基吖啶插入d(CGCGCGC)×d(GCGCGCG)双链的分子力学模拟:邻位排斥原理的物理基础分析
Proc Natl Acad Sci U S A. 1987 Aug;84(16):5735-9. doi: 10.1073/pnas.84.16.5735.
5
A molecular model for proflavine-DNA intercalation.原黄素-DNA嵌入的分子模型。
Nucleic Acids Res. 1988 Sep 26;16(18):8999-9016. doi: 10.1093/nar/16.18.8999.
6
Organization of DNA in chromatin.染色质中DNA的组织形式。
Proc Natl Acad Sci U S A. 1976 Sep;73(9):3068-72. doi: 10.1073/pnas.73.9.3068.
7
Models of triple-stranded polynucleotides with optimised stereochemistry.具有优化立体化学的三链多核苷酸模型。
Nucleic Acids Res. 1976 Oct;3(10):2459-70. doi: 10.1093/nar/3.10.2459.
8
A mechanism for the entrapment of DNA at an air-water interface.一种使DNA滞留在空气-水界面的机制。
Biophys J. 1977 Jun;18(3):275-88. doi: 10.1016/S0006-3495(77)85613-0.
9
A 1:2 crystalline complex of ApA:proflavine: a model for binding to single-stranded regions in RNA.ApA与原黄素的1:2晶体复合物:一种与RNA单链区域结合的模型
Nucleic Acids Res. 1978 Nov;5(11):4417-22. doi: 10.1093/nar/5.11.4417.
10
Stereochemical model for proflavin intercalation in A-DNA.原黄素嵌入A-DNA的立体化学模型。
Nucleic Acids Res. 1977 Nov;4(11):3855-61. doi: 10.1093/nar/4.11.3855.

本文引用的文献

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Structural considerations in the interaction of DNA and acridines.DNA与吖啶相互作用中的结构考量
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Stereochemical studies of cyclic peptides. VI. Energy calculations of the cyclic disulphide cysteinyl-cysteine.
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Calculation of binding isotherms for heterogenous polymers.非均相聚合物结合等温线的计算。
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Conservation of conformation in mono and poly-nucleotides.单核苷酸和多核苷酸中构象的保守性。
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Resonance energy transfer between ethidium bromide molecules bound to nucleic acids. Does intercalation wind or unwind the DNA helix?与核酸结合的溴化乙锭分子间的共振能量转移。嵌入作用会使DNA螺旋缠绕还是解旋?
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The geometry of nucleic acids.核酸的几何学
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Peptide antibiotic-oligonucleotide interactions. Nuclear magnetic resonance investigations of complex formation between actinomycin D and d-ApTpGpCpApT in aqueous solution.肽抗生素 - 寡核苷酸相互作用。放线菌素D与d - ApTpGpCpApT在水溶液中形成复合物的核磁共振研究。
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Refinement of the structure of B-DNA and implications for the analysis of x-ray diffraction data from fibers of biopolymers.B-DNA结构的优化及其对生物聚合物纤维X射线衍射数据分析的启示
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The dimensions and shapes of the furanose rings in nucleic acids.核酸中呋喃糖环的尺寸和形状。
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10
A new antitumoral agent: 9-hydroxyellipticine. Possibility of a rational design of anticancerous drugs in the series of DNA intercalating drugs.一种新型抗肿瘤药物:9-羟基玫瑰树碱。在DNA嵌入药物系列中合理设计抗癌药物的可能性。
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B型DNA中平面药物插入的可视化。

Visualization of planar drug intercalations in B-DNA.

作者信息

Alden C J, Arnott S

出版信息

Nucleic Acids Res. 1975 Oct;2(10):1701-17. doi: 10.1093/nar/2.10.1701.

DOI:10.1093/nar/2.10.1701
PMID:1187341
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC343538/
Abstract

A computerized linked-atom modeling system was developed to examine the stereochemical requirements for intercalation of planar drugs into DNA. All classes of conformational possibilities for extending the polynucleotide backbone were examined for their ability to accommodate insertion of a drug into a base-paired region of DNA compatible with adjacent regions of B-DNA while stacking interactions, steric strain and non-bonded interatomic contacts were optimised. One conformation was found which proved superior to all others in ability to satisfy these criteria: an extension of the backbone by characteristic changes in two torsion angles to trans values, plus a change in one sugar puckering to C3'-endo to relieve strain in an adjacent residue. The turn angle distributed over three polynucleotides for this most general mode of intercalation is 90 degrees, equivalent to a helical unwinding of -18 degrees for B-DNA.

摘要

开发了一种计算机化的连接原子建模系统,以研究平面药物插入DNA的立体化学要求。研究了多核苷酸主链延伸的所有构象可能性,以考察其在堆叠相互作用、空间应变和非键合原子间接触得到优化的情况下,将药物插入与B-DNA相邻区域兼容的DNA碱基对区域的能力。发现了一种构象,在满足这些标准的能力方面优于所有其他构象:主链通过两个扭转角的特征性变化延伸至反式值,加上一个糖环构象变为C3'-内向以缓解相邻残基的应变。这种最常见的嵌入模式在三个多核苷酸上分布的转角为90度,相当于B-DNA的螺旋解旋-18度。