Molecular Dynamics and Bioactivity of a Novel Mutated Human Parathyroid Hormone
文献类型：期刊论文
| 作者 | Jiang, Yueshui3; Gu, Jiande1 ; Lei, Jianyong3; Chen, Yun3; Jin, Jian2,3,4
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| 刊名 | TROPICAL JOURNAL OF PHARMACEUTICAL RESEARCH
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| 出版日期 | 2014-04 |
| 卷号 | 13期号:4页码:511-518 |
| 关键词 | Parathyroid hormone Mutation prediction Molecular dynamics RANKL/OPG UAMS-32P cell |
| ISSN号 | 1596-5996 |
| DOI | 10.4314/tjpr.v13i4.4 |
| 文献子类 | Article |
| 英文摘要 | Purpose: To design and evaluate a novel human parathyroid hormone (hPTH) analog. Methods: Mutation stability prediction was processed on hPTH, docked the mutant hPTH with its receptor, and then proceeded with molecular dynamics using Discovery Studio 3.5 software package for the complex. The bioactivity of the hPTH on the expression levels of the Rps27, RANKL and OPG genes were assessed in UAMS-32P cells. Results: A three-site mutant, hPTH (R25Q:K26E:K27L), was obtained and MD trajectory analysis showed a decrease in the root mean square deviation by 51.95%, in the radius of gyration by 3.57%, and in the interaction energy by 10%, compared with the wild-type hPTH. Bioactivity assessment demonstrated that this mutant stimulated the ratio of RANKL/OPG 30-fold higher than the wild-type. Conclusion: We successfully designed a new hPTH mutant with a stable conformation and high bioactivity, and this may be useful for elucidating ligand-receptor recognition mechanism and discovering novel hPTH analogs. |
| WOS关键词 | VASONATRIN PEPTIDE ; RECEPTOR |
| 资助项目 | National Natural Science Foundation of China[81273437] ; Fundamental Research Funds for the Central Universities in China[JUDCF10065] |
| WOS研究方向 | Pharmacology & Pharmacy |
| 语种 | 英语 |
| WOS记录号 | WOS:000339624700004 |
| 出版者 | PHARMACOTHERAPY GROUP |
| 源URL | [http://119.78.100.183/handle/2S10ELR8/277122]  |
| 专题 | 药物发现与设计中心 |
| 通讯作者 | Jin, Jian |
| 作者单位 | 1.Chinese Acad Sci, Shanghai Inst Biol Sci, Shanghai Inst Mat Med, Drug Design & Discovery Ctr, Shanghai 201203, Peoples R China; 2.Shanghai Jiao Tong Univ, Sch Med, Shanghai 200031, Peoples R China 3.Jiangnan Univ, Sch Pharmaceut Sci, Wuxi 214122, Jiangsu, Peoples R China; 4.Chinese Acad Sci, Shanghai Inst Biol Sci, Inst Hlth Sci, Shanghai 200031, Peoples R China; |
| 推荐引用方式 GB/T 7714 | Jiang, Yueshui,Gu, Jiande,Lei, Jianyong,et al. Molecular Dynamics and Bioactivity of a Novel Mutated Human Parathyroid Hormone[J]. TROPICAL JOURNAL OF PHARMACEUTICAL RESEARCH,2014,13(4):511-518. |
| APA | Jiang, Yueshui,Gu, Jiande,Lei, Jianyong,Chen, Yun,&Jin, Jian.(2014).Molecular Dynamics and Bioactivity of a Novel Mutated Human Parathyroid Hormone.TROPICAL JOURNAL OF PHARMACEUTICAL RESEARCH,13(4),511-518. |
| MLA | Jiang, Yueshui,et al."Molecular Dynamics and Bioactivity of a Novel Mutated Human Parathyroid Hormone".TROPICAL JOURNAL OF PHARMACEUTICAL RESEARCH 13.4(2014):511-518. |
入库方式： OAI收割
来源：上海药物研究所
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