Studies on synthesis and molecular dynamics simulation of dendrimers containing amino acids and peptides

HE Gu1, GUO Li1, WANG Qianqian1, MA Lifang2, HE Zechao2

Front. Chem. China ›› 2007, Vol. 2 ›› Issue (4) : 378-382.

PDF(396 KB)
PDF(396 KB)
Front. Chem. China ›› 2007, Vol. 2 ›› Issue (4) : 378-382. DOI: 10.1007/s11458-007-0071-z

Studies on synthesis and molecular dynamics simulation of dendrimers containing amino acids and peptides

  • HE Gu1, GUO Li1, WANG Qianqian1, MA Lifang2, HE Zechao2
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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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HE Gu, GUO Li, WANG Qianqian, MA Lifang, HE Zechao. Studies on synthesis and molecular dynamics simulation of dendrimers containing amino acids and peptides. Front. Chem. China, 2007, 2(4): 378‒382 https://doi.org/10.1007/s11458-007-0071-z
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