Theoretical investigation on interaction binding of analogues of AT-1840 to double-stranded polynucleotide

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	Theoretical investigation on interaction binding of analogues of AT-1840 to double-stranded polynucleotide
	Chen, JZ; Chen, KX; Jiang, HL; Lin, MW; Ji, RY
刊名	PROGRESS IN NATURAL SCIENCE
	1997-06
卷号	7 期号:3 页码:329-335
关键词	lycobetaine polynucleotide interaction ab initio
ISSN号	1002-0071
文献子类	Article
英文摘要	The acetate of ungeremine (AT-1840, lycobetaine) is a new anticancer agent. Pharmacological studies have revealed that AT-1840 can interact with DNA by intercalation mechanism, preferentially into G-C base pairs. The tetranuclueotide d(CCGG)(2) was selected as target with which AT-1840's analogues interact and their interaction energies have been calculated in order to investigate the relationship between interaction energy and the pharmacological activity. The calculation results indicate that there is parallel relationship between interaction energy and anticancer potency. For the four potent compounds, the binding in fashion A is better than in fashion B. The electrophilicity of 17-substituent was found to be an important factor markedly affecting the interaction of compounds with DNA. According to these results two new compounds were designed.
WOS研究方向	Materials Science ; Science & Technology - Other Topics
语种	英语
出版者	TAYLOR & FRANCIS LTD
WOS记录号	WOS:A1997XB20600011
内容类型	期刊论文
源URL	[http://119.78.100.183/handle/2S10ELR8/274908]
专题	新药研究国家重点实验室中科院受体结构与功能重点实验室
通讯作者	Chen, JZ
作者单位	CHINESE ACAD SCI,SHANGHAI INST MAT MED,STATE KEY LAB DRUG RES,SHANGHAI 200031,PEOPLES R CHINA.
推荐引用方式 GB/T 7714	Chen, JZ,Chen, KX,Jiang, HL,et al. Theoretical investigation on interaction binding of analogues of AT-1840 to double-stranded polynucleotide[J]. PROGRESS IN NATURAL SCIENCE,1997,7(3):329-335.
APA	Chen, JZ,Chen, KX,Jiang, HL,Lin, MW,&Ji, RY.(1997).Theoretical investigation on interaction binding of analogues of AT-1840 to double-stranded polynucleotide.PROGRESS IN NATURAL SCIENCE,7(3),329-335.
MLA	Chen, JZ,et al."Theoretical investigation on interaction binding of analogues of AT-1840 to double-stranded polynucleotide".PROGRESS IN NATURAL SCIENCE 7.3(1997):329-335.