Work

Exploration of some medicinal plants for peptic ulcer disease: In-silico approach for wound management

Year: 2025

Type: article

Abstract: Peptic ulcers are a common digestive disorder affecting millions of people worldwide and exhibiting high recurrence rates. Conventional treatments for peptic ulcers can have adverse effects and may not be suitable for everyone. Herbal remedies act as complementary therapy that focus on the use of active constituents of medicinal plants such as flavonoids, alkaloids, and essential oils in the treatment of peptic ulcers. These are rich in active metabolites in the barks, roots, leaves, fruits, and seeds, and have been utilized for medicinal purposes since ancient times. The use of herbal therapy is crucial, and regulations are necessary to ensure the quality of products, particularly in randomized studies, to assess their efficacy and safety in treating ulcer disorders. Through in-silico study we explored how these compounds interact with the active sites of histamine2, β-adrenergic coupled and cytokine receptors (IL-6, IL-17, IL-23). The docked scores ranging from -3.743Kcal/mol to -11.105 kcal/mol, prudent strong binding affinity. Computation of the drug-likeness, ADMET and pharmacokinetic properties of these compounds reveals potential as candidates for prototype for peptic ulcer. This study aims to explore the anti-ulcer activity of medicinal plants in treating peptic ulcer disease.

Source: In Silico Research in Biomedicine

DOI: 10.1016/j.insi.2025.100027

Authors: Divya Sahu, Lokendra Singh Rathor, Manju Rawat Singh, Deependra Singh

Institution: Pandit Ravishankar Shukla University

Language: English

Topic: Computational Drug Discovery Methods

Subfield: Computational Theory and Mathematics

Field: Computer Science

Domain: Physical Sciences

SDG: Good health and well-being

Open Access status: gold

Estimated APC paid: $2,000