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

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Title	Molecular docking analysis of oxazole compounds with the heme-binding protein from Porphyromonas gingivalis
Authors	*Pranaw Manikandan¹, Vishnu Priya Veeraraghavan^{, 1}Surya Sekaran², Kavitha Sankaran, Gayathri Rengasamy¹ & Rajalakshmanan Eswaramoorthy^,²*
Affiliation	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
Email	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
Date	Received January 1, 2023; Revised January 30, 2023; Accepted January 31, 2023, Published January 31, 2023
Abstract	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.
Keywords	Auxotrophic bacteria, Computational analysis, In Silico, Heme binding protein, Periodontitis, P. gingivalis
Citation	Manikandan *et al.* Bioinformation 19(1): 105-110 (2023)
Edited by	P Kangueane
ISSN	0973-2063
Publisher	Biomedical Informatics
License	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.