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

Table 4

Intermolecular interactions between the ligands and key amino acid residues in the binding site of each docked protein complex.

Protein	Interactions	Distance	Category	Type
TNF-α	A: GLY122-C18:1; A: TYR59-C18:1; A: TYR59-C18:1; B: TYR119-C18:1; B:TYR151-C18:1	2.49227; 4.69657; 4.55788; 5.20912; 5.1787	Hydrogen bond; Hydrophobic; Hydrophobic; Hydrophobic; Hydrophobic	Carbon hydrogen bond; Pi-Alkyl; Pi-Alkyl; Pi-Alkyl; Pi-Alkyl
	A: TYR151-C18:2; A: SER60-C18:2; B: TYR119-C18:2	2.10425; 2.60046; 5.37121	Hydrogen bond; Hydrogen bond; Hydrophobic	Conventional hydrogen bond; Conventional hydrogen bond; Pi-Alkyl
IL-6	ARG30-C18:1; ASP34-C18:1; ARG30-C18:1; ARG179-C18:1; LEU33-C18:1; LEU178-C18:1; ARG182-C18:1	2.75109; 2.00213; 4.8115; 5.18369; 4.82652; 4.31064; 5.02992	Hydrogen bond; Hydrogen bond; Hydrophobic; Hydrophobic; Hydrophobic; Hydrophobic; Hydrophobic	Conventional hydrogen bond; Conventional hydrogen Bond; Alkyl; Alkyl; Alkyl; Alkyl; Alkyl
	SER176-C18:2; LYS66-C18:2; SER176-C18:2; ARG179-C18:2; SER176-C18:2	2.33641; 2.73064; 3.07451; 4.58308; 2.33641	Hydrogen bond; Hydrogen bond; Hydrogen bond; Hydrophobic; Hydrogen bond	Conventional hydrogen bond; Carbon hydrogen bond; Carbon hydrogen bond; Alkyl; Conventional hydrogen bond
CRP	LYS69-C18:1; ASP70-C18:1; LYS69-C18:1; PRO87-C18:1	2.81528; 2.08868; 2.59002; 4.86508	Hydrogen bond; Hydrogen bond; Hydrogen bond; Hydrophobic	Conventional hydrogen bond; Conventional hydrogen bond; Carbon hydrogen bond; Alkyl
	LYS69-C18:2; VAL89-C18:2; PRO87-C18:2	5.38624; 4.59074; 3.86619	Hydrophobic; Hydrophobic; Hydrophobic	Alkyl; Alkyl; Alkyl