article · Molecules
Bioactive components were extracted and fractionated from the stem bark of the subtropical tree Ziziphus spina-christi using an environmentally conscious solvent recycling process. Testing revealed that the n-butanol fraction exhibited the highest antimicrobial efficacy among the tested fractions. Further purification of this active fraction led to the identification and isolation of two major lupane-type pentacyclic triterpenoids: betulinic acid and betulin. Metabolic profiling through high-resolution liquid chromatography mass spectrometry identified 36 compounds across diverse chemical classes, with flavonoids and triterpenes emerging as the predominant metabolites. In addition, molecular docking simulations analysed the interactions between the isolated triterpenoids and six specific antimicrobial target receptors to support the laboratory findings. These results highlight the stem bark of Ziziphus spina-christi and its constituent triterpenoids as candidates for development in pharmaceutical and clinical settings.
Finding natural antimicrobial alternatives is critical as resistance to existing medications grows. Identifying specific active molecules from plant sources such as Ziziphus spina-christi, alongside using recyclable solvent extraction techniques, helps researchers pinpoint effective natural compounds while reducing the environmental impact and cost of chemical extraction methods.
The research identifies betulin and betulinic acid as potential leads for pharmaceutical and clinical antimicrobial development, which could interest drug discovery teams and biotechnology firms. A reusable solvent method also suggests potential cost and environmental efficiencies for extraction. However, this work represents early-stage research, having demonstrated efficacy only through in vitro laboratory assays and computational molecular docking without testing in animal models or clinical settings.
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Ziziphus spina-christi L. (ZSC-L) is a tree with thorny branches, belongs to the family Rhamnaceae and grows in the sub-tropics. The purpose of this research is to isolate and partially purify bioactive components from the crude ethanol extract of the stem bark of ZSC-L. Besides, bioassay-guided fractionation of ZSC-L stem bark was conducted using different solvents. The solvents were reutilized to minimize the production cost and environmental harm. In addition, the antimicrobial activities of the fractions were analyzed, followed by metabolic profiling using LC-HRMS. The n-butanol fraction showed the highest antimicrobial efficacy, so it was subjected to further purification. For the first time, two major compounds were isolated from the stem bark of ZSC-L and identified as lupane-type pentacyclic triterpenoids betulinic acid and betulin. Both compounds were used as antibacterial and anticancer agents and considered as a green product as the extraction procedure reduced the use of hazardous chemicals. Metabolic characterization of ZSC-L and its bioactive fractions were performed using LC-HR-ESI-MS and the results revealed the dereplication of 36 compounds belonging to different chemical classes. Flavonoids and triterpenes were the most prominent metabolite classes in the different fractions. The molecular docking results were obtained by studying the interaction of betulin and betulinic acid with antimicrobial receptors (4UYM, 1IYL, 1AJ2, 6J7L, 1AD4, 2VEG) to support the in vitro results. Our study highlights that Ziziphus spina-christi and its phytoconstituents, especially triterpenoids, act as a promising antimicrobial candidate in pharmaceutical and clinical applications.
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DOI: 10.3390/molecules27061805
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