A computational search for lipases that can preferentially hydrolyze long-chain omega-3 fatty acids from fish oil triacylglycerols. (15th April 2015)

• Record Type: Journal Article
• Authors: Kamal, Md. Zahid; Barrow, Colin J.; Rao, Nalam Madhusudhana
• Is Part Of: Food chemistry. Volume 173(2015)
• Page Start: 1030
• Page End: 1036
• Publication Date: 2015-04-15
• Subjects: Omega-3 fatty acids -- EPA -- DHA -- Lipase -- Covalent docking; Food -- Analysis -- Periodicals; Food -- Composition -- Periodicals; 664
• DOI: 10.1016/j.foodchem.2014.10.124
• Languages: English
• ISSNs: 0308-8146

Abstract

Highlights: Omega-3 fatty acid containing triglycerides were docked on all lipases with known structure. Both non-covalent and covalent docking experiments were performed. Lipases showing preferences for omega-3 fatty acids were identified. Size of active sites was the major determinant of triglyceride selectivity. Abstract: Consumption 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.