Untargeted metabolic profiling of Zygophyllum Coccineum plant near the Red Sea for phytochemical investigation by GC-MS, LC-MS, and NMR

This study conducts a comprehensive metabolomic profiling of the Zygophyllum (Z) coccineum plant, a halophyte prevalent in Saudi Arabia and Egypt, employing gas chromatography-mass spectrometry (GC–MS), liquid chromatography-mass spectrometry (LC–MS), and nuclear magnetic resonance (NMR) spectroscopy. Recognizing the plant’s significance in traditional medicine, we explore its adaptative mechanisms and potential pharmacological applications through the identification of metabolites. Various solvents, namely acetonitrile–water (AcW), isopropanol-methanol–water (IMW), and methanol–water (MW) were utilized for metabolite extraction. Our results reveal a diverse spectrum of metabolites, including amino acids, sugars, organic acids, alkaloids, steroids, and terpenoids, with significant variations in extraction efficiency and metabolite composition across solvents. Identified metabolites indicate the reason for using Z. coccineum leaves as traditional medicine in Saudi Arabia, and Egypt because of consist of several phytochemical metabolites used for the treatment of diabetes, kidney diseases, cancer, urinary tract secretions, dental pain, tumors, stomach pain, smallpox, asthma, rheumatism, gout, infections, hypertension, burns, and blood pressure, found in the extractions by the three different solvents on the analysis through GC/LC–MS spectrometry. Identified metabolites and their statistical analyses, including principal component analysis (PCA) and variable importance in projection (VIP), indicated that AcW in GC–MS provides a superior number of metabolites, clustering, and variability statistical analysis, while MW excels in LC–MS metabolic profiling and their statistical analysis compared to other solvents. These multilayers of solvents and analytical techniques approach underscores the importance of solvents in enhancing metabolomic studies, thereby facilitating a deeper understanding of the phytochemicals within Z. coccineum and their medicinal potential. Enhancing our knowledge of the plant’s metabolomics may inform future applications in pharmacology and agriculture.