Instituto Universitario de Bio-Orgánica Antonio González, Universidad de La Laguna, Av. Astrofísico Francisco Sánchez 2, 38206 La Laguna, Tenerife, Spain.
Chemistry. 2010 Oct 11;16(38):11576-9. doi: 10.1002/chem.201001327. Epub 2010 Aug 27.
Toxin precursors: Corozalic acid, a new Ser/Thr protein phosphatase 1 and 2A inhibitor that turned out to be a key metabolic intermediate, was isolated from cultures of the marine dinoflagellate Prorocentrum belizeanum. Detailed spectroscopic analysis and extensive computational calculations revealed its structure and conformational behavior. In addition, a comprehensive picture of the interactions of corozalic acid with PP1 and PP2A is proposed (see figure) on the basis of ab initio, docking and molecular dynamics calculations.
从海洋甲藻原甲藻的培养物中分离出了一种新的丝氨酸/苏氨酸蛋白磷酸酶 1 和 2A 抑制剂——科罗扎利酸，它是一种关键的代谢中间产物。详细的光谱分析和广泛的计算计算揭示了它的结构和构象行为。此外，基于从头算、对接和分子动力学计算，提出了科罗扎利酸与 PP1 和 PP2A 相互作用的综合图（见图）。
