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Title

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

 

Authors

Poojitha Kumaran1, Gayathri Rengasamy1,*, 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 Lipinskiís 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.