Understanding the mechanism of anti-microbial action of non-antibiotic drugs omeprazole and lansoprazole against H.pylori

Dibyendu Biswas, Ashwani Sharma

Abstract


H. pylori is a Gram-negative bacterium. The outer membrane is the outer barrier of Gram-negative bacteria, which consists of two highly asymmetric layers-the inner monolayer contains only phospholipids and the outer monolayer consists mainly of outer membrane proteins (OMPs) that are resistant to the external environment. The study of H. pylori OMPs will contribute to the development of vaccine and drug targets. OMPs in H. pylori mainly include lipopro- teins, porins, iron-regulated proteins, efflux pump proteins, and adhesins. Many drugs have been used against H.pylori, However, no clear mechanism of inhibition has been reported against H. pylori. For our project, we have chosen 2 compounds namely Lansoprazole and Omeprazole to understand their mechanism of inhibition on H. pylori by Molecular modeling approach. These are two drugs which are well known for the treatment of infection created by H. pylori. We have chosen different pathway proteins from the H. pylori life cycle such as membrane proteins, efflux protein, DNA, RNA and metabolite synthesis proteins, transporter proteins etc. The affinity was predicted by the Molecular docking approach. Our in-silico study concludes that Lansoprazole produced very strong affinities with 16 proteins from different pathways with free energy of binding of -7 to -9 kcal/mol. However, Omeprazole produced affinities with 9 proteins from different pathways with free energy of binding of -7 to -9 kcal/mol. Therefore, our docking study predicted that Lansoprazole effectively inhibits several pathway proteins in the H. pylori and is able to kill the H.Pylori more efficiently as compared to Omeprazole. Our in-silico study will help the biologist to design very precise experiments to validate our in-silico approach and be able to reduce time and cost to perform many assays.

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BISWAS ET AL 2022

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