UPLC-MS/MS and GC-MS based metabolites profiling of seed with its anti- and anti-inflammatory activities.

Compared to its leaf, few studies have been reported on the seeds of Lam. Metabolites profiling analysis of seed methanolic extract (ME) and its fixed oil (MO) was attempted LC/MS and GC/MS. LC/MS analysis of seeds annotated 84 peaks of which glucosinolates and their corresponding acetyl isomers were abundant. GC/MS of seed oil revealed the abundance of fatty acids with oleic acid at 34.3%. ME exhibited significant anti- activity with MIC 0.92 µg/mL, nearly one-half that of Clarithromycin. Fixed oil (MO) showed a nonselective anti-inflammatory effect with IC= 24.4 ± 0.8 µg/mL correlated to Ibuprofen. To unravel the mechanism of the anti- activity a molecular docking study of the principal components of the ME has been performed, using H. pylori urease enzyme. Interactions with Ni ions and amino acid residue in the active site, which are crucial for the enzyme's biochemical role, are evidenced.