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Studies on synthesis and molecular dynamics simulation of dendrimers containing amino acids and peptides |
| HE Gu1, GUO Li1, WANG Qianqian1, MA Lifang2, HE Zechao2 |
| 1.Key Laboratory of Drug Targeting of Ministry of Education, West China School of Pharmacy, Sichuan University, Chengdu 610041, China; 2.School of Chemical Engineering, Sichuan University, Chengdu 610065, China |
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Abstract A series of poly(ether-amide) dendrimers with amino acids and peptides as the peripheral functional groups was synthesized, and their structures were confirmed by nuclear magnetic resonance (NMR) and electrospray ionization-mass spectrometry (ESI-MS) spectrometry. Molecular dynamics simulation of the peptide dendrimers in solution was performed, indicating that, the prior conformations of the dendrimers were atom number dependent, i.e., with the increases of the atom number, the prior conformations were more spherical. Also, the amino acid α-C atom radial distribution indicated that, with larger peripheral groups, more back-folding of the dendrimers occurred.
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Issue Date: 05 December 2007
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