The Study of Yarrow's Effect on Helicobacter Pylori with Ducting Molecular Simulation

Subject Areas :

khadijeh tavakoli hafshejani ^{1 *} , fatehme raisi ² , elaheh saberi ³

1 - باشگاه پژوهشگران جوان ونخبگان، دانشگاه آزاد اسلامی واحد شهرکرد، شهرکرد ایران
2 - Young Researchers Club, Islamic Azad University, Shahrekord Branch, Shahrekord, Iran
3 - Biology, Faculty of Basic Sciences, Islamic Azad University, Shahrekord Branch, Shahrekord, Iran

Received: 2019-07-06 Accepted : 2019-11-22 Published : 2019-11-22

Keywords: &quot, Molecular docking&quot, , &quot, Alopenin&quot, , &quot, Urease enzyme&quot, , &quot, Helicobacter pylori&quot, , &quot, Caryophylline&quot, oxide,

Abstract :

Helicobacter pylori resistance to common antibiotics is the main cause of the low percentage of bacteria in developing countries.Therefore, there is a need for an alternative drug to treat Helicobacter pylori infection. The new medicine should be effective, less complicated, with good effects against Helicobacter pylori, and not cause bacterial resistance to the drug. The use of medicinal plants is one of the ways to solve the problem of microbial resistance.Because the secondary compounds of plants are complex molecules, many of them have biological activity. Investigators' attention to effective plant combinations, as a solution to the problem of Helicobacter Pylori resistance, is common to antibiotics and one of them is the Yarrow Plant, whose compounds cause the Helicobacter Pylori to be destroyed. Also, empirical studies showed that the urease enzyme of this bacterium causes its life in the stomach. Therefore, it was assumed that the herbal compounds of the yarrow may have an effect on the enzyme urease.The herbal drug design was used to treat Helicobacter pylori, which was done using molecular docking simulator and Autodak 4 software. Alopenin with free energy of binding (5.15) and carophilin oxide with free energy (5.43) and bismuth with free energy binding (4.92) were used to inhibit urease enzymes. Cariogenic oxide with binding energy is better for the enzyme. Keywords: Helicobacter pylori, Urease enzyme, Molecular docking, Alopenin, Caryophylline oxide