Comparative analysis of cinnamaldehyde with conventional endodontic irrigants against Enterococcus faecalis surface protein receptor for targeted biofilm inhibition: an in-silico docking study

Document Type : Original articles

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1 Saveetha Dental College and Hospitals,Saveetha Institute of Medical and Technical Sciences, Saveetha University,

2 Saveetha Dental College,Saveetha Institute of Medical and Technical Sciences, Saveetha University

3 Senior Lecturer Department of Conservative Dentistry and Endodontics Saveetha Dental College, Saveetha Institute of Medical and Technical Sciences, Saveetha University

Abstract

Aim: Enterococcus faecalis biofilm-mediated root canal infections are a significant challenge in endodontics due to their resistance to conventional disinfection, often leading to treatment failure. This study aims to evaluate the inhibitory potential of cinnamaldehyde, a phtyochemical from cinnamon, on the E. faecalis surface protein (Esp) receptor, using computational docking simulations and compare it with standard disinfectants, sodium hypochlorite (NaOCl) and chlorhexidine (CHX)
Materials and methods: In-silico docking simulations were performed to assess the binding affinities, amino acid interactions, and binding energies of cinnamaldehyde, NaOCl, and CHX with the Esp receptor.
Results: CHX showed the highest binding affinity (-11.83 kcal/mol) with diverse amino acid interactions. Cinnamaldehyde exhibited moderate binding energy (-5.5 kcal/mol) with targeted interactions involving HIS, VAL, TYR, and ALA. NaOCl had the lowest binding affinity (-0.93 kcal/mol), likely due to fewer interactions. However, NaOCl’s known clinical effectiveness is supported by other mechanisms than receptor binding, such as hypochlorous acid formation and a high pH.
Conclusion: The findings underscore CHX's potential as an Esp receptor inhibitor. Cinnamaldehyde, as a natural alternative, shows promise with targeted interactions. Although NaOCl's in-silico affinity is lower, its established clinical efficacy and alternative mechanisms affirm its value in root canal disinfection. These findings highlight the potential of integrating natural alternatives like cinnamaldehyde to complement conventional disinfection strategies against biofilms in endodontic protocols.

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