Acta Scientific Microbiology (ISSN: 2581-3226)

Research Article Volume 5 Issue 8

An In-silico Analysis on Anti-ulcer Activity of Bioactive Compounds Found in Honey

Musab Umar Abubakar and Ankita Mathur*

Department of Life Science, Mewar University, Rajasthan, India

*Corresponding Author: Ankita Mathur, Department of Life Science, Mewar University, Rajasthan, India.

Received: June 20, 2022; Published: July 07, 2022

Abstract

Ulcer disease has become a disease mostly affecting the older people, with the highest incidence occurring between 55 and 65 years of age. The study was carried out to determine an in-silico analysis on anti-ulcer activity of bioactive compounds found in Honey. The crystal structure for 2PVP and 4INP proteins of Helicobacter pylori were used for molecular docking in which twenty four ligands compounds of honey were tested, they yielded a good result, Among the docking result of the selected hits obtained, the binding affinities range from -3.3 to -6.3 (kcal/mol) and -2.9 to -6.5 for 2PVP and 4INP protein respectively for which some were higher than the control used. In this study, 11 compounds shows good binding affinity, higher than the control in 2PVP protein while 22 compounds shows good binding affinity, higher than the control in 4INP. 2H-Benzimidazol-2-one with docking score of -6.3kcal/mol while Acetamide has the least docking scores of -3.3 kcal/mol for 2PVP, and Benzophenone was with highest binding affinity in 4INP with docking score -6.5 Kcal/mol while Acetamide has the least docking scores of -2.9 kcal/mol among the selected compounds. The active site of the targeted proteins showed hydrophobic interactions with the help of CEU B: 279, LEU A: 149, TYR A: 131 etc. amino acids. Important Admet properties were examined for the prediction of the physical descriptor and pharmacologically important properties. All the selected compounds displayed important values for the various criteria tested and showed strong drug-like properties based on the Lipinski’s rule of five.

Keywords: Ulcer; Phytochemicals; Docking; Virtual Screening; Bacteria; Bioactive Compounds

References

  1. Baldwin DN., et al. “Identification of Helicobacter pylori genes that contribute to stomach colonization”. Infection and Immunity 75 (2007): 1005-1016.
  2. Linz B., et al. “An African origin for the intimate association between humans and Helicobacter pylori”. Nature 445 (2007): 915-918.
  3. Shiota S., et al. “Helicobacter pylori from gastric cancer and duodenal ulcer show same phylogeographic origin in the Andean region in Colombia”. PLoS One 9 (2014): e105392.
  4. Stingl K., et al. “Energetics of Helicobacter pylori and its implications for the mechanism of urease-dependent acid tolerance at pH 1”. Journal of Bacteriology 184 (2002): 3053-3060.
  5. Sharp A. “Beneficial effects of honey dressings in wound management”. Nursing Standard 24 (2009): 66-68.
  6. Tovey FI. “Honey and healing”. Journal of the Royal Society of Medicine 84 (1991): 447.
  7. Karayil S., et al. “Effect of honey on multidrug resistant organisms and its synergistic action with three common antibitotics”. Journal of Postgraduate Medicine 44 (1998): 93-96.
  8. Dennington R., et al. “Gauss View, version 5”. Prod. Shawnee Mission Semichem Inc., Shawnee (2009).
  9. Dallakyan S and Olson AJ. “Small-molecule library screening by docking with PyRx”. In: Chemical Biology. Springer (2015): 243-250.
  10. O’Boyle NM., et al. “Open Babel: an open chemical toolbox”. Journal of Cheminformatics1 (2011): 33.
  11. Daina A., et al. “Swiss ADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules”. Scientific Report 7 (2017): 42717.
  12. Trott O and Olson AJ. “AutoDockVina: improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading”. Journal of Computational Chemistry2 (2009): 455-461.
  13. Villa F., et al. “Structural insights into the recognition of substrates and activators by the OSR1 kinase”. EMBO Report9 (2007): 839-845.
  14. Wolber G and Langer T. “LigandScout: 3-D pharmacophores derived from protein-bound ligands and their use as virtual screening filters”. Journal of Chemical Information and Modeling 1 (2005): 160-169.
  15. Davani B., et al. “Aged transgenic mice with increased glucocorticoid sensitivity in pancreatic β-cells develop diabetes”. Diabetes (American Diabetes Association) 53 (2004): S51-S59.
  16. Derosa G., et al. “Effect of pioglitazone and acarbose on endothelial inflammation biomarkers during oral glucose tolerance test in diabetic patients treated with sulphonylureas and metformin”. Journal of Clinical Pharmacy and Therapeutics 35 (2010): 565-579.

Citation

Citation: Musab Umar Abubakar and Ankita Mathur. “An In-silico Analysis on Anti-ulcer Activity of Bioactive Compounds Found in Honey". Acta Scientific Microbiology 5.8 (2022): 23-33.

Copyright

Copyright: © 2022 Musab Umar Abubakar and Ankita Mathur. This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.




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