DOI: https://doi.org/10.55373/mjchem.v26i1.105

Keywords: Molecular networking; dereplication; curry leaf; bark and root; dichloromethane extract

Abstract

Murraya koenigii has been used in traditional Indian Ayurvedic medicine and in culinary as flavouring agents. The metabolites in the leaves of M. koenigii have been studied extensively for its pharmacological properties, revealing a diverse range of its therapeutic effects. This study aimed to investigate the metabolites in the leaf, bark, and root of M. koenigii using a combination of Liquid Chromatography-Tandem Mass Chromatography (LC-MS/MS) and molecular networking as a dereplication strategy for the detection of potential new compounds. The comprehensive metabolite profiling of the M. koenigii dichloromethane extracts was carried out by generating a molecular network from LC-MS/MS data. A total of 47 known compounds and 11 unknown compounds were putatively identified based on their molecular structure obtained from the analysis of the MN. There were six clusters in the MN by which five clusters were composed of alkaloids and one cluster was consisted of terpenoids. The present study suggested that three alkaloid compounds putatively identified for the first time in the bark and root of M. koenigii might appear to be potential bioactive compounds deserving of further investigation. The two compounds, (1-(4-ethoxybutyl)-2-methyl-1H-indol-3-yl) (p-tolyl) methanone (peak 2) and 1,4-bis(3-phenylpropyl)-1,2-dihydropyridine (peak 4), were found exclusively in the bark, whereas 2-methyl-4,6-bis(4-(pyridin-4-yl) phenyl)-1,3,5-triazin (peak 3) was found abundantly in the root. These compounds could be potential candidates for future research, including targeted compound isolation, followed by structural elucidation and bioassays, to be further explored as a potential lead compound in drug discovery.