Molecular docking analysis of a virulence factor protein dentilisin from < em > Treponema denticola < /em > with oxazole piperazine derivatives

Bioinformation. 2023 Jan 31;19(1):57-62. doi: 10.6026/97320630019057. eCollection 2023.ABSTRACTDentilisin is a surface protease synthesized by the cell wall of Treponema denticola. This protein aids in the invasion of the periodontal tissue by causing infection. To identify drug molecules that have better results, homology modeling of the dentilisin protein was constructed, and molecular docking was performed with the oxazole compounds (1-6) taken from previous studies that are not yet clinically used. Data shows that compounds 1, 2, 3 show better inhibiting properties.PMID:37720272 | PMC:PMC10504502 | DOI:10.6026/97320630019057

Source: Bioinformation - September 18, 2023 Category: Bioinformatics Authors: Kandeeban Parthiban Vishnu Priya Veeraraghavan Surya Sekaran Gayathri Rengasamy Rajalakshmanan Eswaramoorthy Source Type: research