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Synthesis, Enzymatic Assay and Molecular Docking Studies of Biuret Derivatives for Discovery of New Urease Inhibitors as Potential Agents Against Helicobacter Pylori Infection

عنوان مقاله: Synthesis, Enzymatic Assay and Molecular Docking Studies of Biuret Derivatives for Discovery of New Urease Inhibitors as Potential Agents Against Helicobacter Pylori Infection
شناسه ملی مقاله: IBIS10_172
منتشر شده در اولین همایش بین المللی و دهمین همایش ملی بیوانفورماتیک ایران در سال 1400
مشخصات نویسندگان مقاله:

Atefeh Mohammadian - Department of Medicinal Chemistry, School of Pharmacy, Zanjan University of Medical Sciences, Zanjan, Iran
Hafezeh Salehabadi - Department of Medicinal Chemistry, School of Pharmacy, Zanjan University of Medical Sciences, Zanjan, Iran
Neda Adibpour - Department of Medicinal Chemistry, School of Pharmacy, Zanjan University of Medical Sciences, Zanjan, Iran
Massoud Amanlou - Department of Medicinal Chemistry, Faculty of Pharmacy, Tehran University of Medical Sciences, Tehran, Iran- Drug Design and Development Research Center, The Institute of Pharmaceutical Sciences (TIPS), Tehran University of Medical Sciences, Tehran, Iran

خلاصه مقاله:
Helicobacter pylori is a gram-negative spiral bacterium that causes infections in the human stomach and isable to survive in the acidic environment of the stomach with the help of the enzyme urease. By convertingurea to ammonia and carbon dioxide, this enzyme modulates the pH and facilitates survive of H. pylori inthe stomach because of providing a neutral environment in acidic conditions. Therefore, the virulence of H.pylori could be controlled using substances that inhibit urease activity. Due to the structure of biurets , whichconsists of two ureases and is similar to the urease substrate, they can be considered as potential ureaseinhibitors. In this project, urease inhibitory activity of ۱۸ biuret derivatives that have already been synthesizedwas investigated by molecular docking studies and the best compounds were selected to evaluate theenzymatic assay.The crystal structure of Jack bean urease (PDB code:۳la۴) was obtained from Protein Data Bank(www.rcsb.org). After validation, biuret derivatives were investigated by docking studies. The selectedcompounds are the ones that have the lowest docking score. Finally, selected compounds were evaluated byenzymatic assay.

کلمات کلیدی:
Synthesis, Molecular Docking, Biuret Derivatives, Inhibitor, Urease

صفحه اختصاصی مقاله و دریافت فایل کامل: https://civilica.com/doc/1473627/