In silico Analysis to Search for an Alternative Inhibitor of Biofilm Production by Helicobacter pylori
Abstract
INTRODUCTION
Antibiotic Resistance is a growing concern in the current world. Regarding this, Helicobacter pylori is known to be present in the digestive tracts of human beings. In some people, the infection leads to stomach cancer. With the increasing problem of Antibiotic resistance, reports show that drugs are no longer working with the same efficacy rate as they used to. The present work is a study of the two-component Acid-Response System (ArsRS) protein, one of the key pro-teins involved in biofilm formation by H. pylori.
METHODS
In this study, an overall bioinformatics analysis was conducted of the bioactive compound, along with some FDA-approved drugs, to identify potential novel treatments for diseases associated with H. pylori. The molecular docking studies have been done with common drugs that are used for the treatment of the infection caused by H. pylori as Amoxicillin, Clarithromycin, Tetracycline, Levofloxacin, Metronidazole, Omeprazole, and Rabeprazole. Another aspect of the current study was to investigate the potential for national compounds such as Quercetin, α-mangostin, Phytol, Liquiri-tin, and D-mannitol as an alternative therapeutic agent. ADMET Analysis and toxicity assessment were done to check the pharmacokinetics of the bioactive compounds. An in silico investigation of the H. pylori protein revealed its stability and compactness.
RESULTS
A Higher number of intra-protein interactions increases the stability of H. pylori protein. Liquiritin emerged…
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