Bioinformatics
The differential metabolites were imported into the IPA software,
revealing several relevant biological pathways, such as MAPK, NF-κB,
Dectin-1/Syk, and IL-17 signaling pathways (Fig. 7). Moreover, molecular
docking experiments indicated that the binding energy of the small
molecule metabolite linoleic acid to ACSL1 was -7.2kcal/mol, suggesting
that ACSL1 may be the target protein of linoleic acid (Fig. 8A).
Linoleic acid formed hydrogen bonds with MET-325 and PHE-326 of ACSL1,
with hydrogen bond lengths of 2.8Å and 2.1Å, respectively (Fig. 8B-C).