Molecular docking assessment of cocoa bean flavonoid extract and its impact on lipase enzymes and blood markers in high-fat diet fed rats

This study utilizes Gas Chromatography-Mass Spectrometry (GC-MS) and molecular docking analyses to assess the impact of a flavonoid-rich cocoa bean oil extract on lipid enzymes and blood markers in Wistar rats fed a high-fat diet. These advanced techniques allow a detailed exploration of cocoa bean oil's chemical composition, unveiling its bioactive compounds. Male Wistar rats were divided into four groups: control, control with cocoa extract, high-fat diet (HFD) and HFD with cocoa extract. The lipid profiles and hematological parameters were analyzed, revealing significant bioactive compounds through GC-MS analysis. The molecular docking study showed strong binding affinities of these compounds with lipase enzymes, suggesting inhibitory effects on lipid digestion and absorption. Rats treated with the cocoa extract exhibited improved blood parameters, with reductions in cholesterol, triglycerides, and an overall enhancement in lipoprotein lipase and hepatic lipase activities. Additionally, the extract demonstrated the potential to counteract the negative impacts of a high-fat diet by improving lipid metabolism and hematological markers. These findings suggest that the flavonoid-rich cocoa extract may offer anti-obesity benefits, highlighting its medicinal potential in ameliorating hematological abnormalities and lipid profile disruptions associated with high-fat diets. [Display omitted] •Cocoa oil molecules are identified by GC-MS.•Molecular docking shows the makeup of cocoa oil.•Haematological markers are altered by a high-fat diet which are regulated by flavonoid-rich extract.•Hepatic lipase and lipoprotein lipase activity were improved by cocoa extract rich in flavonoids.•Rat health indices showed notable benefits when cocoa flavonoids were added.