Enhancing Quality Characteristics of Cold-Pressed Sesame Oil with Ethanolic Extract of Quince (Cydonia oblonga), alongside with Exploring the Interaction of Trans Fatty Acids with Key Proinflammatory Cytokines via Molecular Docking

Abstract

Currently, there is a growing trend of replacing synthetic antioxidants with natural alternatives to prevent the oxidation of edible oils. Herein, we assessed the phenolic compounds and antioxidant properties of ethanolic extracts that are obtained from Cydonia oblonga (SQ). Furthermore, we incorporated SQ at two different concentrations (1% and 2%) into cold-pressed sesame oil, storing it for 30 days under ambient conditions. We then assessed the peroxide value (PV), acid value (AV), oxidative stability using the Rancimat apparatus, and the fatty acid (FA) composition. Additionally, we performed the molecular docking analyses to explore the interaction between trans fatty acids (TFAs; C18:1 and C18:2) and key proinflammatory cytokines such as tumor necrosis factor-alpha (TNF-α), interleukin-6 (IL-6), and C-reactive protein (CRP). The total phenol, flavonoid content, and antioxidant activity of SQ were found to be 95.33 ± 5.03 mg GAE/g, 343.67 ± 16.44 mg QE/g, and 465.67 ± 5.51 mmol Fe²⁺/g, respectively. The presence of SQ exhibited a significant impact on reducing PV and AV when compared to the control group. Furthermore, the addition of SQ resulted in a significant increase in the induction period (IP) compared to the control. The predominant FAs in the samples were 18:2n-6, 18:1n-9, 16:0, and 18:0, respectively. The levels of TFAs in all samples at 30 days were higher than those at 0 day. TNF-α and IL-6 showed a higher binding affinity for the trans-C18:1 ligand, with a docking score of -6.81 and -5.82, respectively, compared to the trans-C18:2 ligand. In this context, SQ can be proposed as a natural antioxidant to enhance the oxidative stability of sesame oil. Additionally, the binding preferences and specific interactions of TFAs with these proinflammatory cytokines indicate their potential role in modulating inflammation.