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Molecular docking analysis of a virulence factor protein dentilisin from Treponema denticola with oxazole piperazine derivatives



Kandeeban Parthiban1, Vishnu Priya Veeraraghavan*Surya Sekaran2, Kavitha Sankaran, Gayathri Rengasamy1 & Rajalakshmanan Eswaramoorthy*2



1Department of Biochemistry, Saveetha Dental College and Hospitals, Saveetha Institute of Medical and Technical Sciences, Saveetha University, Chennai-600077; 2Department of Biomaterials (Green lab), Saveetha Dental College and Hospital, Saveetha Institute of Medical and Technical Sciences (SIMATS), Saveetha University, Chennai-600077; *Corresponding author



Kandeeban Parthiban E-mail: 152101039.sdc@saveetha.com

Vishnu Priya Veeraraghavan - E-mail:vishnupriya@saveetha.com

Surya Sekaran - E-mail:suryas.sdc@saveetha.com

Kavitha Sankaran - E-mail:kavithas.sdc@saveetha.com

Gayathri Rengasamy - E-mail:gayathri.sdc@saveetha.com

Rajalakshmanan Eswaramoorthy - E-mail:rajalakshmanane.sdc@saveetha.com


Article Type

Research Article



Received January 1, 2023; Revised January 30, 2023; Accepted January 31, 2023, Published January 31, 2023



Dentilisin is a surface protease synthesized by the cell wall of Treponema denticola. This protein aids in the invasion of the periodontal tissue by causing infection. To identify drug molecules that have better results, homology modeling of the dentilisin protein was constructed, and molecular docking was performed with the oxazole compounds (1-6) taken from previous studies that are not yet clinically used. Data shows that compounds 1, 2, 3 show better inhibiting properties.



antimicrobial agents, oxazole piperazine derivatives, Treponema denticola, Homology modeling, dentilisin



Parthiban et al. Bioinformation 19(1): 57-62 (2023)


Edited by

P Kangueane






Biomedical Informatics



This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License.