In silico Analysis of Inhibitory Potential of Major Non-steroidal Anti-inflammatory Drugs against Las-quorum Sensing Circuit in Pseudomonas aeruginosa
الموضوعات : Biotechnological Journal of Environmental Microbiology
1 - گروه میکروبیولوژی، دانشکده علوم پایه، واحد لاهیجان، دانشگاه آزاد اسلامی، لاهیجان، ایران
2 - گروه میکروبیولوژی، دانشکده علوم پایه، واحد لاهیجان، دانشگاه آزاد اسلامی، لاهیجان، ایران
الکلمات المفتاحية: Pseudomonas aeruginosa, Quorum sensing, NSAIDs, LasI, LasR, Molecular Docking,
ملخص المقالة :
The emergence of drug resistance, therapeutic failure, and the development of Pseudomonas aeruginosa infections
are primarily attributed to biofilm formation and quorum sensing (QS) dependent virulence factors.
The antimicrobial potential of some non-steroidal anti-inflammatory drugs (NSAIDs), such as ibuprofen, has
been determined in laboratory studies. Herein, a docking analysis was conducted to examine the interaction
between seven NSAIDs and the proteins of the Las system. Initially, the three-dimensional structure of selected
NSAIDs (Diclofenac sodium, Ibuprofen, Ketoprofen, Mefenamic acid, Meloxicam, Naproxen, and Tenoxicam),
and natural ligand of LasR (3-oxo-C12-HSL) were retrieved from PubChem database. Also, crystal
structures of LasI Synthase and transcriptional activator protein LasR were obtained from Protein Data Bank.
Subsequently, the molecular docking analysis utilizing AutoDock Vina software was employed to investigate
the capability of the selected NSAIDs to inhibit the LasI/LasR receptor. Based our findings, the majority of the
selected NSAIDs exhibited favorable interactions with LasI/R proteins. Moreover, ketoprofen exhibited the
strongest interactions with both proteins. In summary, this work suggested that NSAIDs, especially ketoprofen
and naproxen, have promising potential as candidates for further in vitro and in vivo investigations to inhibit
the QS circuits of P. aeruginosa.
