# Molecular Docking Analysis of Hydroxyclavicol and Eugenol From Betel Leaves Against Outer Membrane Protein (OmpH) of Dialister pneumosintes

## TL;DR

This study explores how two plant compounds, eugenol and hydroxychavicol, may inhibit a key protein in a bacteria linked to gum disease, suggesting potential new treatments.

## Contribution

The study computationally identifies eugenol and hydroxychavicol as potential inhibitors of OmpH in Dialister pneumosintes.

## Key findings

- Eugenol and hydroxychavicol effectively inhibited the OmpH protein of D. pneumosintes.
- The compounds showed high drug-likeliness and strong binding affinity to the target protein.
- The results suggest these phytocompounds could be used to treat periodontitis and gingivitis.

## Abstract

Introduction

Dialister pneumosintes is an obligate anaerobic non-spore-forming Gram-negative bacilli. As a part of polymicrobial film, the activated virulence factor causes oral diseases like gingivitis and periodontitis. Decreased susceptibility of clinical strains of D. pneumosintes to different antibiotics including piperacillin and metronidazole raises concerns. There has been significant interest in the utility of plant phytocompounds as potent antibacterial agents.

Aim

The study aimed to look at the potential of two phytocompounds, eugenol and hydroxychavicol, for their ability to inhibit outer membrane protein (OmpH) of D. pneumosintes using computational tools.

Results

The study showed effective inhibition of the OmpH of D. pneumosintes by both eugenol and hydroxychavicol. The high probability to be active (Pa) value indicated the probability of true positive for the tested compounds for their predicted biological activity. There was strong reciprocity between the drug-likeliness and its binding affinity for the target protein, indicating an inhibitory nature.

Conclusion

The tested phytocompounds hydroxychavicol and eugenol showed potential inhibition of the OmpH protein of D. pneumosintes indicating its potential use as inhibitory compounds of the pathogen and future directions for the treatment of periodontitis and gingivitis.