Document Type
Article
Publication Date
2024
Abstract
Quorum sensing is the process by which bacterial cells can communicate by producing substances to regulate viable processes such as gene expression, virulence, and bioflm formation. Gram-positive bacteria such as Staphylococcus aureus and Enterococcus faecalis have specifc enzymes (autoinducers) that control the quorum sensing system. Sortase A is a surface protein that regulates virulence and cell‒cell communication in Gram-positive bacteria. To interfere with this system and reduce virulence and cell‒cell communication, quorum sensing inhibitors are used, which are nonantibiotic substances. In this study, we aimed to use Food and Drug Administration-approved drugs (analgesics and antipsychotics) and investigate their activity using molecular docking and microbiological assays against both quorum sensing in Gram-positive S. aureus and E. faecalis. This study investigated the quorum sensing inhibitors acetylsalicylic acid and trifuoperazine and evaluated their afnity to the active site of SrtA (PDB:1t2w) using AutoDock Vina software. Agar difusion and minimum inhibitory concentration tests were performed to experimentally validate the quorum sensing inhibitor activity of acetylsalicylic acid and trifuoperazine. Molecular docking illustrated that acetylsalicylic acid and trifuoperazine have high afnity as quorum sensing inhibitors in both S. aureus and E. faecalis. However, only acetylsalicylic acid showed inhibition activity at 1000 µg/ ml in E. faecalis and at 250 µg/ml by the agar well difusion method in S. aureus. The high afnity of these quorum sensing inhibitors, as presented by the molecular docking and inhibition of growth experiments, are indications of their ability to act as quorum sensing inhibitors and as promising synergistic with nonantibiotic drugs to treat infection
Recommended Citation
Albohy, Amgad; A. Obaid, Najla; Mojally, Mariam; Abou Rehab, Mohammed; and Alkhudhir, Najd Ahmad, "In silico identifcation of new potential inhibitors of quorum sensing by Gram‑positive bacteria through specialized molecular docking" (2024). Pharmacy. 769.
https://buescholar.bue.edu.eg/pharmacy/769