Studies on the contribution of phosphoryl group to the non-covalent interaction between ATP and alpha-aminophosphonic acids derivatives by ESI-MS and molecular modeling | |
Liu, X. X. ; Fang, H. ; Liu, Y. ; Zhao, Y. F. ; Zhao YF(赵玉芬) | |
刊名 | http://dx.doi.org/10.1080/10426500701808168
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2008 | |
关键词 | ATP ESI molecular dynamic simulation noncovalent complex |
英文摘要 | In this work, Diisopropyl [phenyl(pyridine-4-carboxamido)methyl]phosphonate was synthesized for investigating the interaction with ATP. The noncovalent complex was observed by the Electrospray ionization Mass Spectrometry (ESI-MS). Through Molecular modeling, it was found that the non-covalent complex was stabilized by two intermolecular hydrogen bonds, which has the binding energy of - 8.999 kcals/mol. In order to investigate the function of phosphoryl group in the interaction, benzoyl phenylglycine isopropyl ester was also tested, but no interaction with ATP was observed by ESI-MS. These results implied that phosphoryl group was a very important functional group to provide effective interaction site between alpha-Aminophosphonic acids and ATP. |
语种 | 英语 |
内容类型 | 期刊论文 |
源URL | [http://dspace.xmu.edu.cn/handle/2288/63721] ![]() |
专题 | 化学化工-已发表论文 |
推荐引用方式 GB/T 7714 | Liu, X. X.,Fang, H.,Liu, Y.,et al. Studies on the contribution of phosphoryl group to the non-covalent interaction between ATP and alpha-aminophosphonic acids derivatives by ESI-MS and molecular modeling[J]. http://dx.doi.org/10.1080/10426500701808168,2008. |
APA | Liu, X. X.,Fang, H.,Liu, Y.,Zhao, Y. F.,&赵玉芬.(2008).Studies on the contribution of phosphoryl group to the non-covalent interaction between ATP and alpha-aminophosphonic acids derivatives by ESI-MS and molecular modeling.http://dx.doi.org/10.1080/10426500701808168. |
MLA | Liu, X. X.,et al."Studies on the contribution of phosphoryl group to the non-covalent interaction between ATP and alpha-aminophosphonic acids derivatives by ESI-MS and molecular modeling".http://dx.doi.org/10.1080/10426500701808168 (2008). |
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