Liu_2025_Food.Chem_474_143236

Reference

Title : Molecular docking simulation reveals the lipase-substrate binding mechanism in the enzymatic synthesis of diacylglycerol-enriched vegetable oils - Liu_2025_Food.Chem_474_143236
Author(s) : Liu R , Zhang Y , Xu Y , Liu Z , Chen J , Goh KL , Zheng M
Ref : Food Chem , 474 :143236 , 2025
Abstract :

Diacylglycerol (DAG) is a functional lipid that is naturally present in vegetable oils in limited concentrations (1 %-5 %). This study proposed an enzymatic method to afford high-content-DAG vegetable oils via a reaction catalyzed by an immobilized lipase, PS@OMS-C(8), using high-speed homogenization and molecular distillation. Results indicated that 48.6 % DAG was initially obtained through the enzymatic glycerolysis of rapeseed oil with glycerol, of which 90.2 % was sn-1,3-DAG. PS@OMS-C(8) maintained 35.5 % DAG content after 10 reuse cycles, confirming its catalytic stability; this was attributed to lipase immobilization on the ordered mesoporous silica that significantly improve the secondary protein structures, including alpha-helix and beta-sheet, thereby strengthening the rigidity of PS@OMS-C(8). In addition to producing DAG-enriched rapeseed oil, other edible oils with 39.4 %-50.2 % DAG content were obtained, as revealed via molecular docking simulation. This study offers new strategies for the sustainable synthesis of vegetable oils with a high content of functional lipids high-content functional lipids.

PubMedSearch : Liu_2025_Food.Chem_474_143236
PubMedID: 39923505

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Citations formats

Liu R, Zhang Y, Xu Y, Liu Z, Chen J, Goh KL, Zheng M (2025)
Molecular docking simulation reveals the lipase-substrate binding mechanism in the enzymatic synthesis of diacylglycerol-enriched vegetable oils
Food Chem 474 :143236

Liu R, Zhang Y, Xu Y, Liu Z, Chen J, Goh KL, Zheng M (2025)
Food Chem 474 :143236