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Computational metabolomics to study the medicinal plant, Lippia javanica
Dissertation   Open access

Computational metabolomics to study the medicinal plant, Lippia javanica

Kekeletso Hlompho Chele
Doctor of Philosophy (PHD), University of Johannesburg
2025
Handle:
https://hdl.handle.net/10210/519059

Abstract

As an indigenous medicinal plant, Lippia javanica has long been utilized in traditional African medicine for its therapeutic properties. Across various cultures in Southern Africa, L. javanica is used to treat ailments such as fevers, respiratory infections, gastrointestinal disorders, and inflammatory conditions. It is also believed to possess anticancer, antidiabetic, and antimicrobial properties. Despite its widespread use and rich history in traditional medicine, the detailed chemical composition and metabolomic complexity of this plant remain underexplored, leaving significant gaps in understanding the bioactive compounds responsible for its therapeutic effects and their potential pharmacological applications. Traditional approaches to natural product research, such as bioactivity-guided fractionation, are often labor-intensive, time-consuming, and prone to rediscovery of known compounds, limiting their ability to explore the full diversity of plant metabolites. Modern methodologies, such as untargeted metabolomics integrated with advanced bioinformatics tools, provide a more systematic and efficient approach to overcoming these challenges. By leveraging technologies like liquid chromatography-mass spectrometry (LC-MS) and computational modeling, this study offers a holistic understanding of the plant’s metabolome, enabling the identification of key biosynthetic pathways and the annotation of diverse metabolites. This research combines untargeted metabolomics, cytotoxicity assays, and molecular docking studies to explore L. javanica's bioactive potential, with a focus on its anticancer properties. By bridging traditional medicinal knowledge with modern scientific validation, this comprehensive study highlights L. javanica as a valuable resource for natural product discovery. It lays the foundation for future research into its pharmacological applications, particularly in cancer therapy, and contributes to sustainable exploration of indigenous plant resources.
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