title: Corozalic acid: a key okadaic acid biosynthetic precursor with phosphatase inhibition activity.
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.
authors.affiliation: Instituto Universitario de Bio-Orgánica Antonio González, Universidad de La Laguna, Av. Astrofísico Francisco Sánchez 2, 38206 La Laguna, Tenerife, Spain.
authors.forename: José G
authors.initials: JG
authors.lastname: Napolitano
authors.forename: Manuel
authors.initials: M
authors.lastname: Norte
authors.forename: José Javier
authors.initials: JJ
authors.lastname: Fernández
authors.forename: Antonio
authors.initials: A
authors.lastname: Hernández Daranas
mesh_terms: D001665:Binding Sites; D020134:Catalytic Domain; D018360:Crystallography, X-Ray; D004141:Dinoflagellida / Q000737:chemistry; D004791:Enzyme Inhibitors / Q000737:chemistry* / Q000378:metabolism; D062105:Molecular Docking Simulation; D019319:Okadaic Acid / Q000031:analogs & derivatives* / Q000737:chemistry*; D054645:Protein Phosphatase 1 / Q000037:antagonists & inhibitors* / Q000378:metabolism; D054648:Protein Phosphatase 2 / Q000037:antagonists & inhibitors* / Q000378:metabolism; D013816:Thermodynamics
chemical_list: D004791:Enzyme Inhibitors; C578434:corozalic acid; D019319:Okadaic Acid; D054645:Protein Phosphatase 1; D054648:Protein Phosphatase 2