Self-assembly of an in silico designed dipeptide derivative to obtain photo-responsive vesicles
文献类型：期刊论文
| 作者 | Zhang, Jun1; Wang, Yining1; Wang, Junfeng1; Yan, Youguo1; Li, Jiawei2; Li, Zhen1 |
| 刊名 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS
 |
| 出版日期 | 2022-11-23 |
| 卷号 | 24期号:45页码:27751-27758 |
| ISSN号 | 1463-9076 |
| DOI | 10.1039/d2cp03258a |
| 通讯作者 | Li, Jiawei(xiicarson@gmail.com) ; Li, Zhen(zhenli@upc.edu.cn) |
| 英文摘要 | Vesicle structures assembled from short peptides are excellent carriers for drug delivery. Modifying peptides with photo-responsive azobenzene (azo) moieties is expected to generate smart vesicles that could release cargos under stimulation of ultraviolet (UV) or visible (vis) light irradiation. The modified azo groups could dramatically affect delicate intermolecular interactions, thereby perturbing the self-assembly pathways of peptides. However, through well molecular design and screening, it should be possible to manipulate the self-assembly to obtain such smart vesicle structures. Coarse-grained (CG) molecular dynamics (MD) simulations were employed to complete the screening of azo-containing peptide derivatives and to clarify molecular mechanisms underlying the self-assembly of vesicles and the photo-response performance. Our simulations demonstrate that grafting an azo moiety to the side chain of phenylalanyl-alanine (FA) generates the F(azo)A molecule that can self-assemble into vesicles, and the addition of diphenylalanine (FF) improves the self-assembly efficiency. The formation of vesicles undergoes three stages: nucleation, fusion, and curling. On the one hand, FF molecules promote the fusion and curling stages, facilitating the co-assembly process. On the other hand, the trans-cis isomerization of F(azo)A side chains perturbs the packing of F(azo)A-FF membranes, inducing photo-responsive morphology transition and permeability change. These results are expected to promote the future regulation of self-assembly behaviors and design of smart self-assembly materials. |
| 资助项目 | National Natural Science Foundation of China ; Natural Science Foundation of Shandong Province ; Fundamental Research Funds for the Central Universities ; [12004438] ; [ZR2020QB078] ; [20CX06011A] |
| WOS研究方向 | Chemistry ; Physics |
| 语种 | 英语 |
| 出版者 | ROYAL SOC CHEMISTRY |
| WOS记录号 | WOS:000882116000001 |
| 源URL | [http://ir.qdio.ac.cn/handle/337002/180410]  |
| 专题 | 海洋研究所_海洋腐蚀与防护研究发展中心 |
| 通讯作者 | Li, Jiawei; Li, Zhen |
| 作者单位 | 1.China Univ Petr East China, Sch Mat Sci & Engn, Qingdao 266580, Peoples R China 2.Chinese Acad Sci, Inst Oceanol, Key Lab Marine Environm Corros & Biofouling, Qingdao 266071, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhang, Jun,Wang, Yining,Wang, Junfeng,et al. Self-assembly of an in silico designed dipeptide derivative to obtain photo-responsive vesicles[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2022,24(45):27751-27758. |
| APA | Zhang, Jun,Wang, Yining,Wang, Junfeng,Yan, Youguo,Li, Jiawei,&Li, Zhen.(2022).Self-assembly of an in silico designed dipeptide derivative to obtain photo-responsive vesicles.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,24(45),27751-27758. |
| MLA | Zhang, Jun,et al."Self-assembly of an in silico designed dipeptide derivative to obtain photo-responsive vesicles".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 24.45(2022):27751-27758. |
入库方式： OAI收割
来源：海洋研究所
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