Open AccessVirtual Screening to Identify the Protein Network Interactions of Triclosan with Streptococcus mutans and Enterococcus faecalis
Author(s) -
T. K. Hariprasanth,
Vijayashree Priyadharsini Jayaseelan,
A. S. Smiline Girija,
P. Sankar Ganesh
Publication year - 2021
Publication title -
journal of pharmaceutical research international
Language(s) - English
Resource type - Journals
ISSN - 2456-9119
DOI - 10.9734/jpri/2021/v33i47b33169
Subject(s) - triclosan , enterococcus faecalis , streptococcus mutans , in silico , microbiology and biotechnology , virulence , antimicrobial , enterococcus , virtual screening , periodontitis , biology , computational biology , chemistry , bacteria , medicine , dentistry , bioinformatics , drug discovery , antibiotics , staphylococcus aureus , biochemistry , genetics , gene , pathology
Triclosan is considered to be an important ingredient in toothpastes and mouth rinses. Several studies have reported contradictory results regarding the antimicrobial effect of triclosan. Hence, the present in silico study intends to identify the potential targets of triclosan in two common dental pathogens Streptococcus mutans and Enterococcus faecalis.
Aim: To identify the protein network interactions of triclosan in Streptococcus mutans and Enterococcus faecalis by virtual screening method.
Materials and Methods: The STITCH v5.0 database was initially used for identifying drug-protein interactions followed by VICMPred and VirulentPred which was employed to identify functional class of the proteins and its virulence property. Finally, BepiPred v1.0 Linear Epitope Prediction tool was used to identify the potential epitopes of the virulent proteins.
Results: Triclosan was found to interact with crucial proteins in S. mutans and E. faecalis which could contribute to severe forms of periodontitis and endodontic diseases.
Conclusion: Taken together, the present study provides the preliminary data on the potential targets of triclosan in common dental pathogens. Further experimental validation is warranted to provide concrete evidence on the molecular targets of dental pathogens.