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Submitted: 07 Jan 2024
Revision: 05 May 2024
Accepted: 30 May 2024
ePublished: 29 Sep 2024
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Avicenna J Dent Res. 2024;16(3): 146-154.
doi: 10.34172/ajdr.1769
  Abstract View: 116
  PDF Download: 48

Original Article

A Novel Approach for Apical Periodontitis Prevention Through RIPK3 Inhibition Using Organic Flavonoids

Hamed Karkehabadi 1 ORCID logo, Soroush Sadr 1 ORCID logo, Elham Khoshbin 1 ORCID logo, Amir Taherkhani 2* ORCID logo

1 Department of Endodontics, School of Dentistry, Hamadan University of Medical Sciences, Hamadan, Iran
2 Research Center for Molecular Medicine, Hamadan University of Medical Sciences, Hamadan, Iran
*Corresponding Author: Amir Taherkhani, Email: amir.007.taherkhani@gmail.com

Abstract

Background: Apical periodontitis (AP) entails inflammatory bone resorption facilitated by the induction of necroptosis through receptor-interacting protein kinase 3 (RIPK3). Consequently, the inhibition of RIPK3 holds the potential for favorable effects in addressing AP. A comprehensive investigation, encompassing 44 flavonoids, was undertaken to identify potential inhibitors of RIPK3.

Methods: The crystal structure of the RIPK3 catalytic domain (PDB ID: 7MON) underwent meticulous preparation through the removal of ligands and energy optimization. Overall, 44 flavonoids were examined in this study. Utilizing AutoDock 4.0, molecular docking analyses were performed to evaluate the binding energies within the active site of RIPK3 concerning the examined herbal isolates, with subsequent comparison to the results obtained from a positive control inhibitor. Furthermore, the BIOVIA Discovery Studio Visualizer played a crucial role in elucidating the interactions between the top-ranked flavonoids and the residues of RIPK3.

Results: Five distinct flavonoids—orientin, rutin, vicenin-2, amentoflavone, and nicotiflorin—manifested notable inhibitory effects on RIPK3, boasting inhibition constant values at either the femtomolar or picomolar scale. Notably, the first three members of this set showcased superior binding affinity to the active site of RIPK3 compared to the reference compound.

Conclusion: The proposition arises that flavonoid, particularly orientin, rutin, vicenin-2, amentoflavone, and nicotiflorin, stand as promising herbal isolates for the therapeutic management of AP.


Please cite this article as follows: Karkehabadi H, Sadr S, Khoshbin E, Taherkhani A. A novel approach for apical periodontitis prevention through RIPK3 inhibition using organic flavonoids. Avicenna J Dent Res. 2024; 16(3):146-154. doi:10.34172/ajdr.1769
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