Virtual Screening to Identify the Protein Targets in Common Dental Pathogens Interacting with Menthol
Journal of Pharmaceutical Research International,
Page 25-31
DOI:
10.9734/jpri/2020/v32i2130749
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.
Keywords:
- Menthol
- common dental pathogen
- bacteria
- DNA replication
- in silico approach
How to Cite
Nandhini, J. S. T., Girija, A. S. S., & Priyadharsini, J. V. (2020). Virtual Screening to Identify the Protein Targets in Common Dental Pathogens Interacting with Menthol. Journal of Pharmaceutical Research International, 32(21), 25-31. https://doi.org/10.9734/jpri/2020/v32i2130749
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Lins RX, Hirata R Junior, Wilson M, Lewis OMA, Fidel RAS, Williams D. Comparision of genotypes, antimicrobial resistance and virulence profiles of oral and non-oral Enterococcusfaecalis from Brazil, Japan and the United Kingdom. J Dent. 2019; 84:49-54.
Vijayashree Priyadharsini J, Smiline Girija AS, Paramasivam A. In silico analysis of virulence genes in an emerging dental pathogen A. baumannii and related species. Archives of oral biology. 2018;94: 93-98.
Vijayashree Priyadharsini J, Smiline Girija A.S, Paramasivam A. Enterococcus faecalis an emerging microbial menace in dentistry-an insight into the In-silico detection of drug; 2020.
Resistant genes and its protein diversity. Journal of Clinical and Diagnostic Research. 2018;12(10):06-10.
Herro E, Jacob SE. Mentha piperita (peppermint). Dermatitis. 2010;21(6):327-9.
Galeotti N, Di Cesare Mannelli L, Mazzanti G, Bartolini A, Ghelardini C. Menthol: A natural analgesic compound. Neurosci Lett. 2002;322(3):145-8.
Marwa C, Fikri-Benbrahim K, Ou-Yahia D, Farah A. African peppermint (Mentha piperita) from Morocco: Chemical composition and antimicrobial properties of essential oil. J Adv Pharm Technol Res. 2017;8(3):86-90.
Tardugno R, Pellati F, Iseppi R, Bondi M, Bruzzesi G, Benvenuti S. Phytochemical composition and In vitro screening of the antimicrobial activity of essential oils on oral pathogenic bacteria. Nat Prod Res. 2018;32(5):544-551.
Szklarczyk D, Santos A, von Mering C, et al. STITCH 5: Augmenting protein-chemical interaction networks with tissue and affinity data. Nucl Acid Res 2016; 44:380-4.
Saha S, Raghava GPS. VICMpred: SVM-based method for the prediction of functional proteins of gram-negative bacteria using amino acid patterns and composition. Genom Proteom Bioinform 2006;4:42-7.
Garg A, Gupta D. VirulentPred: A SVM based prediction method for virulent proteins in bacterial pathogens. BMC Bioinformatics. 2008;9:62.
Yu NK, Wagner JR, Laird MR, et al. PSORTb 3.0: Improved protein subcellular localization prediction with refined localization subcategories and predictive capabilities for all prokaryotes. Bioinformatics. 2010;26:1608-1615.
Sabrah AH, Yassen GH, Gregory RL. Effectiveness of antibiotic medicaments against biofilm formation of Enterococcus faecalis and Porphyromonas gingivalis. J Endod. 2013; 39(11):1385-9.
Bradbury BJ, Pucci MJ. Recent advances in bacterial topoisomerase inhibitors. Curr. Opin. Pharmacol. 2008;8:574–581. Wang JC. Cellular roles of DNA topoisomerases: A molecular perspective. Nat. Rev. Mol Cell Biol. 2002;3:430–440.
Singh R, Shushni MAM, Belkheir A. Antibacterial and antioxidant activities of Mentha piperita L. Arabian Journal of Chemistry. 2015;8:322–328.
Clark RK, Menory RC. Environmental effects or peppermint (Mentha piperita). Aust. J Plant Physiol. 1980;7: 685–692.
Korkmaz FM, Ozel MB, Tuzuner T, Korkmaz B, Yayli N. Antimicrobial activity and volatile constituent analysis of three commercial herbal toothpastes containing Aloe vera L. and Fragaria vesca L. extracts. Niger J Clin Pract. 2019;22(5): 718-726.
Bouyahya A, Et-Touys A, Bakri Y, Talbaui A, Fellah H, Abrini J, Dakka N. Chemical composition of Mentha pulegium and Rosmarinus officinalis essential oils and their anti-leishmanial, antibacterial and antioxidant activities. Microb Pathog. 2017; 111:41-49.
Ali NA, Abbas MJ, Al-Bayaty FH. Evaluation of potential effect of menthol solution on oral hygiene status of dental students in a University in Iraq. Tropical Journal of Pharmaceutical Research. 2015;14(4):687-692.
Vijayashree Priyadharsini J. In silico validation of the non-antibiotic drugs acetaminophen and ibuprofen as antibacterial agents against red complex pathogens. J Periodontol. 2019;90(12): 1441‐1448.
Ushanthika T, Smiline Girija AS, Paramasivam A, Priyadharsini JV. An In silico approach towards identification of virulence factors in red complex pathogens targeted by reserpine [published online ahead of print, 2019 Jul 17]. Nat Prod Res. 2019;1‐6.
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