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

槟榔叶中羟基克拉维醇和丁香酚与Dialister pneumosintes外膜蛋白(OmpH)的分子对接分析

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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.

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