INTERPRETATION OF MOLECULAR INTERACTIONS ORIGINATED FROM BACTERICIDAL ACTIVITY OF GLYCYRRHIZIC ACID AGAINST STAPHYLOCOCCUS AUREUS ISOLATED FROM FRESH RAW MINCED BEEF
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Keywords
Molecular docking, Staphylococcus aureus, Glycyrrhizic acid, minced beef
Abstract
S. aureus is considered as one of the most popular bacterial agents those are causing foodborne diseases in humans. Additionally, this bacterial can be the cause of food poisoning through production of enterotoxins. For the sake of evaluation of the anti-bacterial activity that possessed by the glycyrrhizic acid we have determined the values of MIC and inhibition zone. The value of MIC obtained was 5000(µg/ml), while the inhibition zone value obtained was 12 mm. On top of that, the glycyrrhizic acid's anti-bacterial action has been examined by molecular docking studies to show how it is delivered through bacterial cell. Moreover, with the aim of understanding the mode of action of glycyrrhizic acid with msrA, mecA, blaZ gene expression protein end products from the molecular level, we have docked glycyrrhizic acid to the active site of different proteins. Glycyrrhizic acid has presented a compact pattern that binds to the active pocket of the protein. For msrA the 2D and 3D binding conformation of glycyrrhizic acid in the active site of msrA it make 1 hydrogen bond with Phe95 (B), while mecA 2D and 3D binding conformation of glycyrrhizic acid in the active site of mecA showed 1 hydrogen bond with Gln 59(c) and, lastly, blaZ 2D and 3D binding conformation of glycyrrhizic acid revealed 1 hydrogen bond with Ser 216 (A), 1 hydrogen bond with Ser 235 (A) ,and 2 hydrogen bonds with Arg 244 (A). .Another detailed analysis showed the hydrogen bonds with the amino acid residues. These interactions permit glycyrrhizic acid to achieve formation of a stable complex with the proteins.
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Fayez Althobaiti
Department of Biotechnology, College of Science, Taif University, P.O. Box 11099, Taif 21944, Saudi Arabia