INVESTIGATING PHYTOCHEMICAL INHIBITORS OF PSEUDOMONAS AERUGINOSA'S AHL SYNTHASE LASI: A PATH TOWARD NOVEL THERAPEUTIC AGENTS

Authors

  • Priyanshu KV

DOI:

https://doi.org/10.37591/rrjocb.v12i3.3395

Keywords:

Pseudomonas aeruginosa, Allium sativum, binding affinity, therapeutic agents, ligand docking, in-silico studies.

Abstract

 Objectives: This study intended to explore the potential of phytochemicals from Allium sativum to inhibit AHL synthase LasI, a critical protein of the Quorum Sensing (QS) pathway in Pseudomonas aeruginosa, with the ultimate objective of developing therapeutic agents for managing P. aeruginosa infections. Methods: The physicochemical properties, toxicity, aggregation ability and binding potential of phytochemicals from Allium sativum to the protein AHL synthase LasI were determined. Physicochemical properties, toxicity and aggregation ability were determined using various in-silico tools. Molecular docking simulations were conducted to study the binding interactions between the selected phytochemicals and AHL Synthase LasI. Results: The investigation revealed that 3 phytochemicals, namely Cyercene 1, Thiamine, and 1-Ethylquinolinium iodide, exhibited promising physicochemical properties, low toxicity, and the ability to prevent aggregation. Molecular docking simulations demonstrated strong binding interactions between these ligands and AHL synthase LasI, suggesting their potential as inhibitors of the QS system in P. aeruginosa. Conclusion: Inhibition of AHL synthase LasI is a crucial step in disrupting the QS pathway of P. aeruginosa. The findings of this study indicate that Cyercene 1, Thiamine, and 1-Ethylquinolinium iodide are promising candidates for the development of therapeutic drugs to target LasI, which could be a viable approach for managing infections. Further research and development of these compounds may lead to effective treatments for P. aeruginosa-related diseases, particularly in healthcare settings where the pathogen often spreads through contaminated water and soil.

 

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Published

2024-02-15

Issue

Vol. 12 No. 3 (2023)

Section

Research Article

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