We found a match
Your institution may have access to this item. Find your institution then sign in to continue.
- Title
Molecular mechanisms underlying antimicrobial effect of caffeine against red complex pathogens – An in silico approach.
- Authors
Chaitanyashree, P.; Girija, A. S. Smiline; Paramasivam, A.; Priyadharsini, J. Vijayashree
- Abstract
Objectives: Phytocompounds are widely used in traditional and folk medicine due to its antibacterial, antifungal, antiviral, and anti-inflammatory properties. Caffeine is one such compound extracted from the plant source Coffea arabica. The biological functions of caffeine include antimicrobial activity, antioxidant activity, and a psychostimulant which can increase energy metabolism throughout the brain. The aim of this study was to elucidate the possible mechanism of inhibition elicited by caffeine on red complex pathogens. Materials and Methods: In the present study, the phytocompound caffeine was tested against the group of red complex pathogens, namely, Porphyromonas gingivalis, Treponema denticola, and Tannerella forsythia employing in silico analysis. STITCH tool was used to reveal the interactions between the compound and the protein repertoire in the pathogens selected. The virulence encoded proteins have been identified using VirulentPred and their functional classification was deduced using VICMPred. Results: Caffeine was found to interact with several crucial proteins of the pathogens selected for the study. One among them is the virulence encoded protein putative cardiolipin synthase of P. gingivalis, which was involved in the cellular process. The protein was located in the cytoplasmic membrane of the pathogen and was found to harbor many peptide B-cell epitopes. Conclusions: Understanding the molecular mechanisms underlying the antibacterial activity of caffeine against red complex pathogen will enable researchers to define, focus, and target the functional proteins. Computational tools are boon to such drug target discoveries as it is more economical, user-friendly, and less time consuming.
- Publication
Drug Invention Today, 2019, Vol 12, p9
- ISSN
0975-7619
- Publication type
Academic Journal