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Among the 41 components and the target proteins, 9,12-Octadecadienoic acid (Z, Z)-, 2-hydroxy-1-(hydroxymethyl) ethyl ester showed the highest binding affinity (-10.329 Kcal/Mol) with the target protein PPARA (pdb id-1I7G) and formed four hydrogen (H) bonds at Phenylalanine (PHE) 273, Histidine with hydrogen on the epsilon nitrogen (HIE) 440, Tyrosine (TYR) 464, TYR 314 residues covering the active sites and several hydrophobic interactions (Supplementary Table S11)

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doi: 10.1006/abio.1998.2794