Investigating the quorum quenching effect of allicin by in silico method on Pseudomonas aeruginosa

BACKGROUND AND OBJECTIVESThe expression of most pathogenic factors in Pseudomonas aeruginosa bacterium is regulated by a signaling system called quorum sensing, which is used to interfere with this cellular communication by the quorum quenching system. In this research, the antimicrobial effect of allicin was investigated to prevent the spread of infection and inhibit the quorum sensing of Pseudomonas aeruginosa in the in-silico environment.MATERIALS AND METHODSIn this study, information about the LasR protein structure of Pseudomonas aeruginosa was first obtained from the protein data bank website. Then, by using the molecular dynamics simulation method in the in-silico environment and with the help of various software in the field of bioinformatics such as Gromacs, the effect of allicin, which is chemically and three- dimensionally similar to the specific ligand of the LasR protein, named acyl homoserine lactone, to compete and inhibit the quorum sensing system of Pseudomonas aeruginosa in a period of ۳۰۰ nanoseconds was performed.RESULTS AND DISCUSSIONAccording to the findings of this research, the structure and function of allicin were similar to the structure of the LasR protein of Pseudomonas aeruginosa, which was obtained in silico environment through Auto Dock Vina software and molecular dynamics simulation of the connection between protein and ligand, which is probably allicin through competition and effect anti-quorum sensing exerts its antimicrobial effect.CONCLUSIONThe results showed that plant compounds such as garlic, which have high amounts of allicin, can be used as a natural compound with the anti-quorum sensing system of Pseudomonas aeruginosa.

کلیدواژه ها:

Pseudomonas aeruginosa ، quorum sensing ، quorum quenching ، allicin ، dynamic simulation