期刊
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
卷 19, 期 9, 页码 2453-2455出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.bmcl.2009.03.060
关键词
Curcumin; PfATP6; Docking; Malaria
资金
- National Natural Science Foundation of China [30700113, 30800184]
- Shandong Provincial Natural Science Foundation [Y2007D53]
Despite curcumin has been proved to possess antimalarial effects, the underlying mechanism remains to be elucidated. In this letter, the active site binding modes of curcumin in PfATP6, an important antimalarial target, were investigated using computational docking. It was revealed that curcumin interacts with PfATP6 mainly through hydrophobic interactions and hydrogen bonds. Moreover, the theoretically predicted binding affinity implies that curcumin can efficiently inhibit PfATP6, which gains some deeper insights into the antimalarial mechanism of curcumin. (c) 2009 Elsevier Ltd. All rights reserved.
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