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ABSTRACT
Helicobacter pylori infection is a prevalent gastrointestinal pathogen associated with various gastric disorders, including gastritis, peptic ulcers, and gastric cancers. The introduction of antibiotic resistance highlights the urgent need for alternative therapeutic agents. Natural products, especially those derived from medicinal plants, offer promising opportunities for drug discovery against Helicobacter pylori. Spondias mombin, commonly known as hog plum, is a tropical plant with documented antimicrobial properties. This study aims to evaluate the therapeutic potential of Spondias mombin by performing molecular docking studies to investigate the potential molecular interactions between compounds derived from Spondias mombin and the virulence factors CagA and VacA of Helicobacter pylori. The research involved the preparation of plant extracts from Spondias mombin, followed by High-Performance Liquid Chromatography (HPLC) to identify and quantify the bioactive compounds present in the extract including flavonoids, tannins, saponins, alkaloids, steroids and other phenolics. Subsequently, molecular docking studies were conducted to assess the binding affinities and interactions of these compounds with the CagA and VacA proteins of H. pylori. Statistical analysis was employed to validate the docking results and determine the significance of the findings. The results revealed several compounds from Spondias mombin exhibiting significant binding affinities towards CagA and VacA with sapogenin exhibiting the highest binding affinity against CagA (-7.7 Kcal/mol) and Rutin exhibiting the highest binding affinity against VacG (-8.6 Kcal/mol), suggesting their potential as therapeutic agents against H. pylori infections. These findings suggest that compounds derived from Spondias mombin may serve as potential inhibitors of H. pylori CagA and VacG, offering a natural and alternative approach for the treatment of H.pylori-associated gastric diseases. Further experimental validation, including in vitro and in vivo studies, is warranted to confirm the inhibitory activity of these phytochemicals and explore their therapeutic potential as anti-H. pylori agents. Overall this study provides valuable insights into the molecular interactions between Spondias mombin compounds and H.pylori CagA and VacG, laying the groundwork for the future drug discovery efforts associated with Helicobacter pylori infections.
