Metabolic profiling of Kokilaksha kashaya, a single herb formulation through high resolution liquid chromatography mass spectrometry quadrupole time of flight (HR LCMS QTOF)

The single plant used to make Kokilaksha Kashaya, an Ayurvedic medicine that has long been used to treat arthritic conditions like osteoarthritis, gout, and rheumatoid arthritis, is Asteracantha longifolia Nees, also known as Kokilaksha. Kokilaksha is used as a food supplement and in medicinal infusions because of its well-known diuretic, hepatoprotective, and anti-inflammatory qualities. The decoction is specially advised for inflammatory diseases, liver difficulties, urinary tract problems, and infertility. Eating it as a leafy vegetable improves general health and vigor. The comprehensive investigation of small-molecule metabolites in biological systems, referred to as metabolomics, has emerged as a crucial tool in research. It is widely used in drug discovery, disease diagnostics, and nutritional research and offers important insights into drug metabolism. In this study, using extensive phytochemical profiling through HR LCMS QTOF (High-Resolution Liquid Chromatography–Mass Spectrometry Quadrupole Time of Flight), we put forward a scientific basis for the traditional uses of Kokilaksha Kashaya. Approximately 54 bioactive metabolites, such as flavonoids, glycosides, organic acids, and other secondary metabolites, were found by analytical results. For accurate compound identification, each compound was then outlined further using precise mass-to-charge ratios (m/z), time of retention (RT), predicted molecular formulae, and database match scores (Hits/DB). Among them notable compounds found were 1-Octen-3-yl glucoside, 10-epi-Eupatoroxin, 1-O-Sinapoylglucose and N5-Dinitrophenyl-L-ornithine methyl ester. Future pharmacological and clinical research can be built upon these findings, which offer compelling scientific evidence for the traditional use of the water-soluble extract of Kokilaksha and highlight its potential as a source of naturally derived medicinal compounds.