Molecular structures of recognition system host+guest and DNA complex
文献类型：期刊论文
| 作者 | Yang, LJ; Feng, XZ; Lee, I; Bai, CL |
| 刊名 | JOURNAL OF MOLECULAR STRUCTURE
 |
| 出版日期 | 1998-03-16 |
| 卷号 | 444期号:1-3页码:13-20 |
| 关键词 | Host + Guest System Duplex Dna Rhb-beta-cden 1-borneol Molecular Dynamics |
| ISSN号 | 0022-2860 |
| 英文摘要 | Investigations were carried out to look into the system of host + guest as a ligand targeted to the duplex DNA. The possible structures of host RhB-beta-CDen were studied by minimization and molecular dynamics simulation. In the association state of host + guest (1:1) system, the guest molecule of 1-borneol could insert into the cyclodextrin cavity of the host molecule RhB-beta-CDen. The interactive sites of the RhB-beta-CDen + bomeol system as a ligand targeting to the duplex DNA d(C)8.d(G)8 were obtained by docking interaction. It was found that the ligand was probably bound to the duplex DNA in the minor groove. The conformations of DNA varies noticeably to accommodate the binding groups of the ligand. Water molecules bridge between the bases of duplex DNA and/or ligand by hydrogen bonds to make the entire system more stable. (C) 1998 Elsevier Science B.V. |
| 语种 | 英语 |
| WOS记录号 | WOS:000072795300002 |
| 出版者 | ELSEVIER SCIENCE BV |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/74189]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Bai, CL |
| 作者单位 | Chinese Acad Sci, Inst Chem, Beijing 100080, Peoples R China |
| 推荐引用方式 GB/T 7714 | Yang, LJ,Feng, XZ,Lee, I,et al. Molecular structures of recognition system host+guest and DNA complex[J]. JOURNAL OF MOLECULAR STRUCTURE,1998,444(1-3):13-20. |
| APA | Yang, LJ,Feng, XZ,Lee, I,&Bai, CL.(1998).Molecular structures of recognition system host+guest and DNA complex.JOURNAL OF MOLECULAR STRUCTURE,444(1-3),13-20. |
| MLA | Yang, LJ,et al."Molecular structures of recognition system host+guest and DNA complex".JOURNAL OF MOLECULAR STRUCTURE 444.1-3(1998):13-20. |
入库方式： OAI收割
来源：化学研究所
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