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

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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.