Molecular docking analysis of Indole based oxadiazoles with the H-binding protein from Treponema denticola

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Title	Molecular docking analysis of Indole based oxadiazoles with the H-binding protein from Treponema denticola
Authors	Poojitha Kumaran¹, Gayathri Rengasamy^1,,Surya Sekaran², Kavitha Sankaran¹, Vishnu Priya Veeraraghavan¹ & Rajalakshmanan Eswaramoorthy^,²
Affiliation	¹Department of Biochemistry, Saveetha Dental College and Hospitals, Saveetha Institute of Medical and Technical Science (SIMATS), 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 author
Email	Poojitha Kumaran - E-mail: PoojithaK117@gmail.com Gayathri Rengasamy - E-mail: gayathri.sdc@saveetha.com Surya Sekaran - E-mail: suryas.sdc@saveetha.com Kavitha Sankaran - E-mail: kavithas.sdc@saveetha.com Vishnu Priya Veeraraghavan - E-mail: vishnupriya@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	Treponema denticola is a gram-negative bacteria that is associated with periodontal diseases. Literature derived, six indole based oxadiazole derivatives are docked with the target Factor H binding protein (fHbp) protein. Results show better docking interaction compared to clinically proven drugs and all compounds obey Lipinski’s rule of five. Hence, the compounds were inferred to be potential inhibitors for factor H binding protein of Treponema denticola.
Keywords	antimicrobial agent, diazole-thiol derivatives, Indole oxadiazoles, H-binding protein, Treponema Denticola, In-silico
Citation	Kumaran *et al.* Bioinformation 19(1): 79-84 (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.