In Silico Antidiarrhoeal Potential of Phytoconstituents in Indigenous Leafy Vegetables Black Soup of Vernonia Amygdalina (Bitter Leaf), Ocimum gratissimum (Scent Leaf), and Piper guineense (Uziza) in Edo State, Nigeria

Résumé

Purpose: Diarrheal diseases remain a major global public health concern, especially in developing countries where access to affordable and effective treatment is limited. This study evaluates the antidiarrheal potential of phytochemicals from Vernonia amygdalina, Ocimum gratissimum, and Piper guineense using molecular docking and pharmacokinetic prediction.

Methods: Identified bioactive compounds were docked against two diarrhea-related molecular targets: the mu-opioid receptor (PDB ID: 6DDF) and the human serotonin transporter (PDB ID: 6DZZ), alongside standard antidiarrheal drugs. Binding affinity scores and ligand–receptor interactions were analyzed to assess inhibitory potential, while drug-likeness and ADME properties were evaluated to determine pharmacokinetic suitability.

Results: Several phytoconstituents showed strong binding affinities comparable to standard drugs and formed stable interactions with key active-site residues in both target proteins. Pharmacokinetic analysis indicated that many compounds satisfied drug-likeness criteria and exhibited favorable oral bioavailability profiles.

Conclusion: The findings suggest that phytochemicals in these commonly consumed vegetables may influence molecular pathways involved in intestinal motility and secretion, supporting their traditional dietary and therapeutic relevance in diarrhea management. These compounds may serve as promising leads for the development of plant-based antidiarrheal agents.