In Vivo Bioactivity-guided Fractionation, HPLC Profiling, and In silico Evaluation of Anti-ulcer Compounds from Aqueous Extract of Acacia nilotica Pods
DOI:
https://doi.org/10.31989/bmp.v3i6.2047Abstract
Background: The introduction of conventional anti-ulcer pharmacotherapy has markedly reduced the incidence and severity of gastric ulcers. However, ulcer recurrence and persistent side effects remain important concerns. Acacia nilotica, a medicinal plant with a broad spectrum of pharmacological activities, has shown promising potential in mitigating ulcerative conditions, specifically through its gastroprotective mechanisms.
Objectives: This study aimed to evaluate the aqueous extract of Acacia nilotica pods for anti-ulcer potential using in vivo bioactivity-guided fractionation, HPLC profiling and in silico analyses.
Methods: The aqueous extract was fractionated using solvents of increasing polarity, and the resulting n-butanol fraction showed the highest gastroprotection (76.84%) and ulcer healing (62.84%) effects in an ethanol-induced ulcer model. Further purification of the n-butanol fraction using silica gel column chromatography yielded 23 sub-fractions that were pooled together to three major sub-fractions; (FA, FB and FC).
Results: FB exhibited the highest gastroprotection (96.08%) and ulcer healing (87.44%) effect. HPLC analysis of FB revealed the presence of catechin, gallic acid, and quercetin-3-galotoside. The compounds were subjected to in silico docking against H+/K+-ATPase where, epicatechin showed the highest binding affinity (-11.367 kcal/mol), followed by quercetin-3-galotoside (-10.198 kcal/mol), both surpassing the standard inhibitor omeprazole (-5.644 kcal/mol). MMGBSA and ADMET analyses confirmed epicatechin superior binding energy and favorable pharmacokinetic profile over the other hit compounds.
Conclusion: The findings establish a direct link between bioactive polyphenols in Acacia nilotica an antiulcer activity, with evidence supporting proton pump inhibition as a key mechanism.
Novelty of the Study: This study applies a bioactivity-guided approach to link the anti-ulcer effects of Acacia nilotica pods to specific polyphenolic compounds and their interaction with H⁺/K⁺-ATPase. The identification of Fraction B as the most active fraction, supported by HPLC profiling and in silico analysis, provides mechanistic insight into proton pump inhibition by plant-derived bioactives.
Keywords: Bioactivity-guided fractionation, Acacia nilotica, Polyphenols, H+/k+ ATPase inhibition, Gastroprotection, Molecular docking, Functional food bioactives
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