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

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 an...

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Detalles Bibliográficos
Autores principales: Kumaran, Poojitha, Rengasamy, Gayathri, Sekaran, Surya, Sankaran, Kavitha, Veeraraghavan, Vishnu Priya, Eswaramoorthy, Rajalakshmanan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Biomedical Informatics 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10504513/
https://www.ncbi.nlm.nih.gov/pubmed/37720299
http://dx.doi.org/10.6026/97320630019079
Descripción
Sumario: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.