Abstract

INSILICO INVESTIGATION OF PHYTOCHEMICALS OF ALOE VERA AGAINST GASTRIC PROTON PUMP

Lakshmipriya K., Rajeshwari A., Santhoshini B., Ashwini N., Ananda Paul L. and Mercy Jenifa A.*

ABSTRACT

Peptic ulcer disease remains a significant global health challenge, often managed with proton pump inhibitors (PPIs) and histamine H2-receptor antagonists (H2RAs) due to their efficacy in acid suppression and ulcer healing. However, concerns about relapse, rebound acid secretion, and long-term adverse effects persist. In recent years, alternative treatments such as Aloe barbadensis Miller have gained attention for their reputed efficacy with fewer reported side effects compared to Conventional medications like omeprazole. Computational studies using tools like Drulito, SwissADME, and Protox II have identified emodin, a compound found in Aloe barbadensis Miller, as a promising inhibitor of H+/K+ ATPase, a key enzyme in gastric acid secretion. Emodin exhibited favorable pharmacokinetic properties according to SwissADME predictions, indicating good bioavailability and absorption potential. Protox II analysis further suggested that emodin has a low toxicity profile,
suggesting its safety for long-term use. Docking studies of five ligands from Aloe barbadensis Miller on the protein target H+/K+ ATPase revealed emodin to have one of the highest docking scores, suggesting its potential as a lead compound for developing peptic ulcer treatments. These findings highlight Aloe barbadensis Miller as a potential alternative to PPIs and H2RAs, offering the prospect of effective ulcer healing with reduced adverse effects. Further study into the therapeutic mechanisms of Aloe barbadensis Miller could lead to safer and more effective treatments for this chronic gastrointestinal condition.

Keywords: Peptic ulcer, Aloe barbadensis miller, Omeprazole, H+/K+ATPase, Emodin.