In Silico Docking of Medicinal Herbs Against P. gingivalis for Chronic Periodontitis Intervention
Chelidonine, rotenone, and myricetin emerged as promising therapeutic candidates for chronic periodontitis due to their strong binding affinities, favorable ADME profiles, and lack of significant toxicity. The detailed pharmacophore modeling provided insights into the molecular mechanisms underpinning their inhibitory effects on the heme-binding protein of P. gingivalis. These findings suggest that these compounds have the potential for further development as effective treatments for chronic periodontitis. Future research should focus on in vitro and in vivo validation of these findings to confirm the efficacy and safety of these compounds in biological systems.
Authors
- Artak G. Heboyan (ORCID: https://orcid.org/0000-0001-8329-3205)
- Margarita Khudaverdyan
- Sunil Kumar Vaddamanu (ORCID: https://orcid.org/0000-0002-1583-3246)
- Shashit Shetty Bavabeedu (ORCID: https://orcid.org/0000-0003-4687-8620)
- Seyed Ali Mosaddad (ORCID: https://orcid.org/0000-0001-6963-8289)
- Doni Dermawan (ORCID: https://orcid.org/0000-0003-2545-1775)
- Ravinder Saini
Institutions
- Warsaw University of Technology (PL)
- Universidad Complutense de Madrid (ES)
- Shiraz University of Medical Sciences (IR)
- Yerevan State Medical University (AM)
- Tehran University of Medical Sciences (IR)
- King Khalid University (SA)
- Saveetha University (IN)
Publication Details
- Journal
- International Dental Journal
- Published
- 2024-08-10
- DOI
- https://doi.org/10.1016/j.identj.2024.06.019
- Citations
- 8
- Primary Topic
- Oral microbiology and periodontitis research
- Type
- article
- Field-Weighted Citation Impact
- 3.20
Funders
- King Khalid University
- Office of Research, Graduate Studies and Economic Development, University of Missouri