In silico identification of albendazole as a quorum sensing inhibitor and its in vitro verification using CviR and LasB receptors based assay systems

BioImpacts : BI
Shaminder Singh, Sonam Bhatia

Abstract

Introduction: Quorum sensing inhibition (QSI) is one of the vital tools to overcome emerging virulence of pathogenic bacteria which aims at curbing bacterial resistance. Targeting QS (quorum sensing) as chemotherapy is less likely to generate resistance among pathogens as it targets only the adaptation and not the survival mechanism of the pathogen. Several QS inhibitors were developed in the recent past but none of them managed to have clinical application due to known toxic effects for human consumption. A rapid development of QS inhibitor drugs could be achieved by verification of the QSI activity of drugs which are already in clinical use with known pharmacology. Recently, a known FDA approved clinical drug niclosamide belonging to an anthelmintic class is found to exhibit QSI activity. Methods: We have focused our study on Albendazole, another FDA approved clinical drug belonging to the same class for its potential to act as QSI. The structure-based molecular docking is used for finding putative interactions made by this drug with the CviR and LasB receptor protein of Chromobacterium violaceum and Pseudomonas aeruginosa , respectively. Further, the in vitro activity of this drug has been evaluated by employing CviR and ...Continue Reading

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Citations

Nov 14, 2019·Current Pharmaceutical Biotechnology·Fazlurrahman KhanYoung-Mog Kim
May 6, 2021·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Fábio G MartinsSérgio F Sousa

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Software Mentioned

PyMOL
OPLS
ImageJ
Nikon NIS
elements
GLIDE with energetics )
- C
COMSTAT
GLIDE
Impref

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