期刊
RAPID COMMUNICATIONS IN MASS SPECTROMETRY
卷 28, 期 1, 页码 143-147出版社
WILEY-BLACKWELL
DOI: 10.1002/rcm.6763
关键词
-
资金
- 973 Program [2012CB720600, 2012CB720601]
- National Natural Science Foundation of China [21372021, 21002005]
RATIONALEClassic G-quadruplex binders typically have a large aromatic core and interact with G-quadruplexes through - stacking with the quartets. There are rather few reports on natural flexible cyclic molecule from traditional Chinese medicine which has high binding affinity with G-quadruplex. METHODSElectrospray ionization mass spectrometry (ESI-MS) experiments were performed to evaluate the binding affinities of a natural alkaloid, berbamine, with seven G-quadruplexes. Furthermore, we utilized autodock4 analysis to uncover the binding mode of berbamine with the G-quadruplex. RESULTSESI-MS experiments showed that berbamine has the best binding affinity toward the (GGA)(8)G-quadruplex compared with the other six G-quadruplexes. Autodock4 analysis indicated that berbamine interacted with the (GGA)(8)G-quadruplex through hydrogen bonding and van der Waals forces with a binding site at the lateral groove formed by DG8-DA9-DA15-DG16. CONCLUSIONSIn this study, we discovered a novel G-quadruplex binder, berbamine, which has high binding affinity toward the (GGA)(8)G-quadruplex. This study provided important clues regarding the probing of small molecule from traditional Chinese medicine which can target the G-quadruplex with high affinity. Copyright (c) 2013 John Wiley & Sons, Ltd.
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