Virtual Screening to Identify the Protein Network Interaction of Triclosan in Red Complex Pathogens

Abstract

Background: Antimicrobial drug resistance is the major problem encountered world-wide. Novel therapeutic leads have been identified and are regularly tested for their activity against microbial pathogens. Aim: To identify the protein network interactions of triclosan in red complex pathogens. Materials and Methods: The present study follows an observational study design which aims to screen for the interaction of triclosan in red complex pathogens. The interaction was analyzed using the STITCH v.5 pipeline. The functional class of proteins identified were assessed using VICMPred and VirulentPred softwares. The microbial pathogens Treponema denticola ATCC 35405, Tannerella forsythia ATCC 43037, Porphyromonas gingivalis ATCC 33277 are the strains of red complex pathogens that are included in the present study. Results and Discussion: Several proteins were found to interact with triclosan. Among the protein interactions, interactions of triclosan with virulent proteins seems to have a greater impact. The NAD-dependent nucleotide-diphosphate-sugar epimerase [PGN_1370], Putative NAD dependent epimerase [PGN_1886], GDP-fucose synthetase [PGN_1079], Probable oxidoreductase [PGN_1360] of Porphyromonas gingivalis, Conserved hypothetical protein [TDE_2401],  Epimerase/dehydratase family protein [TDE_1439] of Treponema denticola, NAD dependent epimerase/dehydratase family protein [BFO_2919], Hypothetical protein [BFO_1782],  Nitroreductase family protein [BFO_1604] and Nitroreductase family protein [BFO_1516] Tannerella forsythia were found to be exhibit virulence nature. Conclusion: This study identifies the molecular targets of triclosan on red complex pathogens. As triclosan interacts with the red complex pathogens, in future it can be used as a primary medicine for periodontitis and some oral conditions.