Natural antibacterial gel to fight tooth decay: An in-silico modeling approach

Abstract

This study developed an antibacterial oral gel to inhibit Streptococcus mutans, a bacterium that causes tooth decay. The gel was formulated using methanol extract of Piper betel leaves, hydroxypropyl methylcellulose and glycerin at different concentrations. The formulated gel was evaluated for pH, viscosity and antibacterial activity against S. mutans using standard methods. The methanol extract showed potent antibacterial activity, supporting its use in the gel formulation. In silico molecular docking studies targeted key S. mutans protein residues involved in substrate binding. Eleven bioactive compounds identified in the Piper betel extract via GC-MS analysis were docked against protein 1EUH, an NADP-dependent aldehyde dehydrogenase from S. mutans. All 11 compounds exhibited favorable docking scores, suggesting strong binding affinity for the target protein. The docking results correlated with the antibacterial activity of the formulated gel, which inhibited S. mutans growth more effectively than sodium fluoride, a standard dental product.