Molecular docking analysis of thiazo inhibitors with the virulent factor cystalysin from Treponema denticola.
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ABSTRACT:
SUBMITTER: Andrew S
PROVIDER: S-EPMC10504506 | biostudies-literature | 2023
REPOSITORIES: biostudies-literature
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Molecular docking analysis of thiazo inhibitors with the virulent factor cystalysin from <i>Treponema denticola</i>.
Andrew Serafina S Sankaran Kavitha K Sekaran Surya S Rengasamy Gayathri G Veeraraghavan Vishnu Priya VP Eswaramoorthy Rajalakshmanan R
Bioinformation 20230101 1
<i>Treponema Denticola</i> has a virulent protein called cystalysin, which causes periodontitis. Therefore, it is of interest to design efficient drug that may have fewer side effects than the present clinical drugs, considering most of them are multidrug resistant. The molecular docking analysis show that the selected thiazo derivatives (1-6) show better binding energies and amino acid interactions compared to the clinically proven drugs proving to be potential inhibitors against the protein. ...[more]
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