A common intermediate for prebiotic synthesis of proteins and nucleosides: a density functional theory (DFT) study on the formation of penta-coordinate phosphorus carboxylic-phosphoric mixed anhydride from N-phosphoryl amino acids
文献类型：期刊论文
| 作者 | Tan, B; Lee, MC; Cui, M; Liu, T; Chen, ZZ; Li, YM; Ju, Y; Zhao, YF; Chen, KX ; Jiang, HL
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| 刊名 | JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
 |
| 出版日期 | 2004-03-01 |
| 卷号 | 672期号:1-3页码:51-60 |
| 关键词 | origins of life N-phosphoryl amino acids intramolecular mixed carboxylic-phosphoric anhydride |
| ISSN号 | 0166-1280 |
| DOI | 10.1016/j.theochem.2003.11.007 |
| 文献子类 | Article |
| 英文摘要 | N-phosphoryl amino acids (PAA) are a unique chemical species with many chemical reactivities and properties, including the ability to self-assemble into oligopeptides. Because of their chemical characteristics, they have been proposed as the common origin for both nucleic acids and proteins. In this paper, we discussed six intramolecular mixed carboxylic-phosphoric anhydrides (IMCPAs) as possible intermediates for the prebiotic synthesis of biopolymers from PAA. We also investigated the role of water molecules in the formation of IMCPA using density functional theory B3LYP quantum mechanical calculations at the 6-31G** and 6-311 + G** levels. Our results showed that the energy barrier of IMCPA formation was reduced from 19.5 kcal mol(-1) to 9.9 kcal mol(-1) when water participation and solvent effects were considered. Thus, the direct participation of one water molecule and the bulk solvent effects both play important roles in the formation of IMCPA. (C) 2003 Elsevier B.V. All rights reserved. |
| WOS关键词 | NUCLEIC-ACIDS ; PEPTIDES ; ORIGIN |
| WOS研究方向 | Chemistry |
| 语种 | 英语 |
| WOS记录号 | WOS:000220074300005 |
| 出版者 | ELSEVIER SCIENCE BV |
| 源URL | [http://119.78.100.183/handle/2S10ELR8/274111]  |
| 专题 | 药物发现与设计中心 |
| 通讯作者 | Tan, B |
| 作者单位 | 1.Tsing Hua Univ, Sch Life Sci & Engn, Dept Chem, Bioorgan Phosphorus Chem Lab, Beijing 100084, Peoples R China 2.Univ Delaware, Ctr Biomed Res Excellence Struct & Funct Genom, Newark, DE 19716 USA 3.Chinese Acad Sci, State Key Lab New Drug Res, Ctr Drug Discovery & Design, Shanghai Inst Materia Med,Shanghai Inst Biol Sci, Shanghai 201203, Peoples R China 4.Univ Delaware, Dept Chem & Biochem, Newark, DE 19716 USA |
| 推荐引用方式 GB/T 7714 | Tan, B,Lee, MC,Cui, M,et al. A common intermediate for prebiotic synthesis of proteins and nucleosides: a density functional theory (DFT) study on the formation of penta-coordinate phosphorus carboxylic-phosphoric mixed anhydride from N-phosphoryl amino acids[J]. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM,2004,672(1-3):51-60. |
| APA | Tan, B.,Lee, MC.,Cui, M.,Liu, T.,Chen, ZZ.,...&Jiang, HL.(2004).A common intermediate for prebiotic synthesis of proteins and nucleosides: a density functional theory (DFT) study on the formation of penta-coordinate phosphorus carboxylic-phosphoric mixed anhydride from N-phosphoryl amino acids.JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM,672(1-3),51-60. |
| MLA | Tan, B,et al."A common intermediate for prebiotic synthesis of proteins and nucleosides: a density functional theory (DFT) study on the formation of penta-coordinate phosphorus carboxylic-phosphoric mixed anhydride from N-phosphoryl amino acids".JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 672.1-3(2004):51-60. |
入库方式： OAI收割
来源：上海药物研究所
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