Characterization of Plum Seeds: Elemental Composition, Fatty Acid Profile, and In Silico Investigation of Unsaturated Fatty Acids

This study aimed to estimate the potential usage of plum kernels. The first task was determining the elemental composition of plum kernels by Inductively Coupled Plasma – Optical Emission Spectrometry (ICP-OES) and calculating the contribution of some of the quantified elements to human Daily Requirement Intakes (DRIs). Among macroelements, potassium was the most abundant macroelement, while zinc was the most abundant trace element. A portion of 370 mg of the plum kernels was chosen to estimate the contribution of some of the quantified elements to human DRIs. The second task was determining the total polyphenolic content (TPC) and examining the antioxidant activity of plum kernel extracts using spectrophotometric assays. The third task was the identification and quantification of fatty acids in plum kernels by Gas Chromatography – Mass Spectrometry (GC-MS). Methyl esters of saturated fatty acids (palmitic and stearic acid), and methyl esters of unsaturated acids (linoleic, oleic, palmitoleic, and elaidic acid), were determined after acid esterification. The fourth task was related to molecular docking studies to understand the interactions of fatty acids (palmitoleic, linoleic, and oleic acids) with human serum albumin (HSA). Insight into the crystal structure of HSA with oleic acid revealed seven binding sites. Fatty acids were docked into each binding site, and the allosteric effects and the suitability of this approach were investigated for the example of oleic acid.