HOME   |    PDF   |   


Molecular docking analysis of oxazole compounds with the heme-binding protein from Porphyromonas gingivalis



Pranaw Manikandan1, Vishnu Priya Veeraraghavan*, 1 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, India; 2Department of Biomaterials (Green lab), Saveetha Dental College and Hospital, Saveetha Institute of Medical and Technical Science (SIMATS), Saveetha University, Chennai-600077, India; *Corresponding authors



Pranaw Manikandan - E-mail: 152101051.sdc@saveetha.com

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



Porphyromonas gingivalis, a peripathogen, has several methods to impede or modify the protective mechanisms of the teeth. Targeting the inhibition of the heme protein will prevent the organism from multiplying and inhibit the virulence mechanism. The literature derived oxazole compounds (1-5) were docked against the protein's active site, and the results show that the selected oxazole derivatives exhibit better interaction compared to clinically proven drugs.



Auxotrophic bacteria, Computational analysis, In Silico, Heme binding protein, Periodontitis, P. gingivalis



Manikandan et al. Bioinformation 19(1): 105-110 (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.