Corozalic Acid: A Key Okadaic Acid Biosynthetic Precursor with Phosphatase Inhibition Activity

descriptionPublicationkeyboard_double_arrow_right Article 27 Aug 2010 English Publisher:WileyJournal:Chemistry – A European Journal, volume 16, pages 11,576-11,579 (issn: 0947-6539, eissn: 1521-3765,

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Authors: Napolitano, José G.; Norte, Manuel; Fernández, José J.; Hernández Daranas, Antonio;

doi: 10.1002/chem.201001327

pmid: 20803584

handle: 10261/213304

Corozalic Acid: A Key Okadaic Acid Biosynthetic Precursor with Phosphatase Inhibition Activity

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Abstract

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.

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Keywords

Natural products, Okadaic acid, Binding Sites, Molecular modeling, Enzyme inhibitors, Biosynthesis, Crystallography, X-Ray, Molecular Docking Simulation, Catalytic Domain, Protein Phosphatase 1, Okadaic Acid, Dinoflagellida, Thermodynamics, Protein Phosphatase 2, Enzyme Inhibitors

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