Virtual Screening to Identify the Protein Targets in Common Dental Pathogens Interacting with Menthol

Abstract

Deducing the molecular pathway underlying the antimicrobial effect of phytocompounds is an inevitable part of drug discovery. Selection of potential targets on the microbial pathogens will eventually lead to eradication of microbes and effective treatment. In this context, the present insilico study identifies vital targets in the dental pathogens interacting with menthol. The STITCHtool was used for identifying the protein drug interaction, VICMPred and VirulentPred tools were used for identifying the functional class and virulence nature of proteins. PSORTb was used to locate the sub-cellular location of the virulent proteins. The study results indicate that menthol interacts with virulence factors of Treponema denticola. These factors play a crucial role in cell survival and hence can be a good target for further in vitro and in vivo studies. To conclude, menthol was found to interact with crucial proteins of dental pathogens which can be targeted to achieve promising results.

Virtual Screening to Identify the Protein Network Interaction of Hypericin with Red Complex Pathogens

“…Another study performed by Balamithra, et al in the year 2020, targeted proteins on the dental pathogens which were shown to interact with glycyrrhizin which was similar to our study [38]. Other research was done to see the protein interaction of red complex pathogens with Catechin, menthol and genistein [39][40][41].…”

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

“…The removal of these pathogens from the infection site is still a challenge. In silico tools have been largely used to cut down the primary cost of screening active molecules for their antimicrobial effect [22]. Gomez, et al investigated the inhibitory and lethal effect of triclosan against several microorganisms at different stages of their phase of population growth.…”

“…Several in silico studies have been performed to predict the potential targets of microbial pathogens against the drug selected [21][22][23]…”

Screening and in Silico Validation of Anti-Microbial Peptides Derived from Lysostaphin, Entero and Endolysin

“…Numerous reports have suggested the emergence of novel drug resistant pathogens in dental settings [1,2]. Phytocompounds, compounds from marine and animal sources and non-antibiotic drugs were repurposed for use as antimicrobial agents [3,4,5,6]. Antimicrobial peptides are small molecules which have opened a new era of peptide therapeutics.…”