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A computational search for lipases that can preferentially hydrolyze long-chain omega-3 fatty acids from fish oil triacylglycerols
journal contribution
posted on 2015-04-15, 00:00 authored by M Z Kamal, Colin BarrowColin Barrow, N M RaoConsumption of long-chain omega-3 fatty acids is known to decrease the risk of major cardiovascular events. Lipases, a class of triacylglycerol hydrolases, have been extensively tested to concentrate omega-3 fatty acids from fish oils, under mild enzymatic conditions. However, no lipases with preference for omega-3 fatty acids selectivity have yet been discovered or developed. In this study we performed an exhaustive computational study of substrate-lipase interactions by docking, both covalent and non-covalent, for 38 lipases with a large number of structured triacylglycerols containing omega-3 fatty acids. We identified some lipases that have potential to preferentially hydrolyze omega-3 fatty acids from structured triacylglycerols. However omega-3 fatty acid preferences were found to be modest. Our study provides an explanation for absence of reports of lipases with omega-3 fatty acid hydrolyzing ability and suggests methods for developing these selective lipases.
History
Journal
Food ChemistryVolume
173Pagination
1030 - 1036Publisher
ElsevierLocation
Amsterdam, The NetherlandsPublisher DOI
ISSN
0308-8146Language
engPublication classification
C Journal article; C1 Refereed article in a scholarly journalCopyright notice
2015, ElsevierUsage metrics
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No categories selectedKeywords
Covalent dockingDHAEPALipaseOmega-3 fatty acidsCatalytic DomainDocosahexaenoic AcidsEicosapentaenoic AcidFatty AcidsFatty Acids, Omega-3Fish OilsMolecular Dynamics SimulationTriglyceridesScience & TechnologyPhysical SciencesLife Sciences & BiomedicineChemistry, AppliedFood Science & TechnologyNutrition & DieteticsChemistryPOLYUNSATURATED FATTY-ACIDSOPTIMIZATION
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