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



Poojitha Kumaran1, Gayathri Rengasamy1,*, Surya Sekaran2, Kavitha Sankaran1, Vishnu Priya Veeraraghavan1 & Rajalakshmanan Eswaramoorthy*, 2



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



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



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



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 Lipinskiís rule of five. Hence, the compounds were inferred to be potential inhibitors for factor H binding protein of Treponema denticola.



antimicrobial agent, diazole-thiol derivatives, Indole oxadiazoles, H-binding protein, Treponema Denticola, In-silico



Kumaran et al. Bioinformation 19(1): 79-84 (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.