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  • Title: Interactions of Lycopodium alkaloids with acetylcholinesterase investigated by 1H NMR relaxation rate.
    Author: Li Y, Yin G, Wei W, Wang H, Jiang S, Zhu D, Du W.
    Journal: Biophys Chem; 2007 Sep; 129(2-3):212-7. PubMed ID: 17601647.
    Abstract:
    In order to further understand the interaction processes between the Lycopodium alkaloids and acetylcholinesterase, the binding properties of N-acetyl huperzine A (1), huperzine B (2) and huperzine F (3) with Torpediniforms Nacline acetylcholinesterase (TnAchE) were investigated by 1H NMR methods. The nonselective, selective and double-selective spin-lattice relaxation rates were acquired in the absence and presence of TnAchE at a ratio of [ligand]/[protein]=1:0.005. The selective relaxation rates show protons of 1-3 have dipole-dipole interaction with protons of TnAchE at the binding interface. The molecular rotational correlation time of bound ligands was calculated by double-selective relaxation rate at 298 K, which showed that 1-3 had high affinity with the protein. The results indicate that investigation of 1H NMR relaxation data is a useful method to locate the new Lycopodium alkaloids as AchE inhibitors.
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