Theoretical investigation on interaction binding of analogues of AT-1840 to double-stranded polynucleotide
文献类型：期刊论文
| 作者 | Chen, JZ; Chen, KX ; Jiang, HL; Lin, MW; Ji, RY
|
| 刊名 | PROGRESS IN NATURAL SCIENCE
 |
| 出版日期 | 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 |
| WOS记录号 | WOS:A1997XB20600011 |
| 出版者 | TAYLOR & FRANCIS LTD |
| 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. |
入库方式： OAI收割
来源：上海药物研究所
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