INTRODUCTION Aggregatibacter actinomycetemcomitans is a perio-pathogenic bacteria that has long been associated with severe periodontitis. The mechanisms of its pathogenicity have been studied in humans and pre-clinical experimental models. The aim of the present study was to identify the protein targets in Aggregatibacter actinomycetemcomitans interacting with caffeine through virtual screening. MATERIALS AND METHODS Computational tools were used to identify the targets, assess its functional role and virulence property. The STITCH tool was used for identifying the proteins of A.actinomycetemcomitans interacting with caffeine. Further, the peptide epitopes present in the virulence factors were identified using the BepiPred tool. RESULTS Multiple proteins of A. actinomycetamcomitans were found to interact with caffeine, of which only thiol disulphide interchange protein was identified as a virulence factor. Several epitopes have been identified in the protein. The CONCLUSION The present in silico study provides preliminary data on the protein targets and its virulence factor of Aggregatibacter actinomycetemcomitans interacting with caffeine.

Caffeine, virulence factor, Aggregatibacter actinomycetamcomitans,periodontitis, protein target, Innovative technique