Acta Phys. -Chim. Sin. ›› 2010, Vol. 26 ›› Issue (04): 1082-1086.doi: 10.3866/PKU.WHXB20100416

• BIOPHYSICAL CHEMISTRY • Previous Articles     Next Articles

Investigation of Interaction of Small Natural Product Molecules and Human Telomeric G-Quadruplex and Thermal Stabilities of the Complexes by Electrospray Ionization Mass Spectrometry

HE Xiang-Wei, LONG Hai-Tao, YUAN Gu, Xu Xiao-Jie, ZHOU Ya-Wei   

  1. Beijing National Laboratory for Molecular Science, Key Laboratory of Bioorganic and Molecular Engineering of Education Ministry, Department of Chemical Biology, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, P. R. China; College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, P. R. China; Baschoior Research Center, Peking University, Beijing 100084, P. R. China
  • Received:2009-11-03 Revised:2010-01-12 Published:2010-04-02
  • Contact: YUAN Gu


Electrospray ionization mass spectrometry (ESI-MS) was used to investigate the non-covalent interaction of human telomeric G-quadruplex (G4) DNA with 12 natural product molecules. We found that Fangchinoline, a new ligand of the human telomeric G-quadruplex, had the highest binding affinity among these molecules. The stabilities of the G-quadruplex and the complexes of the G-quadruplex with small molecules were investigated using a mass spectrometry heating experiment. By Fangchinoline binding, the dissociation temperature (T1/2) value of the complex of G-quadruplex with the ligand increased to 200 ℃. We studied the binding mode and stability of the G-quadruplex with the small molecules using Autodock. Possible binding sites were found and the binding energy was about -31.5 kJ·mol -1. Unlike the typical binding molecules with a planar structure, Fangchinoline is a new kind of G-quadruplex ligand and it gives us a different insight for the design of new G-quadruplex ligands.

Key words: Molecular modeling, Telomere, G-quadruplex DNA, Natural product molecule, Electrospray ionization mass spectrometry


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