| Experimental and computational insights into the conformations of tunicyclin E, a new cycloheptapeptide from Psammosilene tunicoides | |
Tian, Jun-Mian1; Ou-Yang, Si-Sheng2; Zhang, Xu3; Di, Ying-Tong4 ; Jiang, Hua-Liang2,5; Li, Hong-Lin5; Dai, Wei-Xing1; Chen, Ke-Yu1; Liu, Mai-Li3; Hao, Xiao-Jiang4; Shen, Yun-Heng1; Luo, Cheng2; Zhang, Wei-Dong1
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| 通讯作者 | Tian, JM (reprint author), Mil Med Coll 2, Sch Pharm, Dept Phytochem, 325 Guohe Rd, Shanghai 200433, Peoples R China, shenyunheng9217018@yahoo.com.cn ; cluo@mail.shcnc.ac.cn ; wdzhangy@hotmail.com |
| 2012 | |
| 发表期刊 | RSC ADVANCES
 |
| ISSN | 2046-2069 |
| 卷号 | 2期号:3页码:1126-1135 |
| 摘要 | Tunicyclin E (1), a new cyclic heptapeptide, cyclo(Pro(1)-Ser(2)-Trp(3)-Leu(4)-Val(5)-Gly(6)-Ser(7)), was isolated from the root of Psammosilene tunicoides. The presence of two sets of resonance signals in its NMR spectra (1a:1b, similar to 3 : 1 abundance) indicated that it has two conformations in solution, while only one conformation was found in its crystal state by X-ray diffraction. To explore the molecular basis of the two conformations of 1 in solution and their interconversion mechanism, X-ray diffraction, NMR experiments, and theoretical calculations were performed. The results disclosed that two conformers of 1 in solution were derived from the cis/trans isomers of the Ser(7)-Pro(1) peptide bond (1a, trans; 1b, cis). The fast interconversion of the two conformations in solution is explained by an intramolecular catalysis mechanism and solvent effects. Furthermore, the existence of several unusual pseudo turns characterized for the first time plays a key role for dominant trans conformation in solution. |
| 关键词 | Human-induced Erosion Land Degradation Logistic Regression Natural Erosion Soil Conservation Policy Highlands Decision Ethiopia Behavior China Area Risk |
| 学科领域 | Chemistry, Multidisciplinary |
| DOI | 10.1039/c1ra00593f |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000299177000055 |
| 引用统计 | |
| 文献类型 | 期刊论文 |
| 条目标识符 | http://ir.kib.ac.cn/handle/151853/10429 |
| 专题 | 植物化学与西部植物资源持续利用国家重点实验室 |
| 作者单位 | 1.Second Mil Med Univ, Sch Pharm, Dept Phytochem, Shanghai 200433, Peoples R China 2.Chinese Acad Sci, Shanghai Inst Mat Med, Drug Discovery & Design Ctr, Shanghai 201203, Peoples R China 3.Chinese Acad Sci, Wuhan Inst Phys & Math, Sate Key Lab Magnet Resonance & Atom & Mol Phys, Wuhan 430071, Peoples R China 4.Chinese Acad Sci, Kunming Inst Bot, State Key Lab Phytochem & Plant Resources W China, Kunming 650204, Peoples R China 5.E China Univ Sci & Technol, Sch Pharm, Shanghai 200237, Peoples R China |
| 推荐引用方式 GB/T 7714 | Tian, Jun-Mian,Ou-Yang, Si-Sheng,Zhang, Xu,et al. Experimental and computational insights into the conformations of tunicyclin E, a new cycloheptapeptide from Psammosilene tunicoides[J]. RSC ADVANCES,2012,2(3):1126-1135. |
| APA | Tian, Jun-Mian.,Ou-Yang, Si-Sheng.,Zhang, Xu.,Di, Ying-Tong.,Jiang, Hua-Liang.,...&Zhang, Wei-Dong.(2012).Experimental and computational insights into the conformations of tunicyclin E, a new cycloheptapeptide from Psammosilene tunicoides.RSC ADVANCES,2(3),1126-1135. |
| MLA | Tian, Jun-Mian,et al."Experimental and computational insights into the conformations of tunicyclin E, a new cycloheptapeptide from Psammosilene tunicoides".RSC ADVANCES 2.3(2012):1126-1135. |
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