D-Glucosamine is a Potential Urease Inhibitor from Middle Eastern Medicinal Plants for Combatting Helicobacter Pylori
Mohammed Baqur S Al-Shuhaib1, Hayder O Hashim2, Jafar M B Al-Shuhaib3
1Department of Animal Production, College of Agriculture, Al-Qasim Green University, 8, Al-Qasim, Babil, 51013, Iraq. mohammed79@agre.uoqasim.edu.iq.
D-glucosamine shows potential as a natural drug to combat Helicobacter pylori by inhibiting urease, offering a promising alternative for treating stomach ulcers with favorable drug-like properties.
Area of Science:
- Natural product chemistry
- Medicinal chemistry
- Microbiology
Background:
- Helicobacter pylori causes peptic and stomach ulcers.
- Bacterial urease production is key to H. pylori survival in acidic environments.
- There is a need for natural, effective H. pylori treatments targeting urease.
Purpose of the Study:
- Identify potent urease inhibitors from Middle Eastern medicinal plants.
- Evaluate natural compounds for affinity, drug-like, pharmacokinetic, and thermodynamic properties.
- Investigate D-glucosamine as a potential H. pylori therapeutic agent.
Main Methods:
- Docking analysis of 5599 compounds against urease active site.
- Selection of top-ranking compounds based on docking scores.
- Molecular dynamics simulations (100 ns) to assess complex stability.
Main Results:
- D-glucosamine exhibited significant interactions with urease active site residues.
- D-glucosamine demonstrated superior ADMET properties compared to other candidates.
- Molecular dynamics simulations confirmed stable D-glucosamine-urease complex formation.
Conclusions:
- D-glucosamine is a potent urease inhibitor with potential as a novel therapeutic agent.
- This compound could be developed into an effective drug against H. pylori infections.
- The study highlights the therapeutic potential of natural compounds for gastrointestinal health.
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