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Proceedings of

9th International Conference on Advances in Bio-Informatics, Bio-Technology and Environmental Engineering ABBE 2019

"RATIONAL DESIGN OF QUORUM SENSING INHIBITORS USING DOCKING STRATEGIES"

ALBERTO MARTÍNEZ ALFREDO FUENTES-GUTIÉRREZ ALICIA REYES-ARELLANO JOSÉ CORREA-BASURTO
DOI
10.15224/978-1-63248-180-1-06
Pages
22 - 23
Authors
4
ISBN
978-1-63248-180-1

Abstract: “The quorum sensing communication system is based on small molecules called autoinducers, which trigger pathogenic effects like biofilm formation. [1] This small molecule signaling construct provides the target for a pharmaceutical chemistry intervention. With the design and synthesis of antiquorum sensing small molecules, the bacteria communication can be blocked. [2] As a result, the pathogenic development is dismantled and additionally the access of antibiotics is promoted. In our group we were able to design and synthesis a pilot series of the heterocyclic compounds as quorum sensing inhibitors. In addition docking strategies were used to explore the binding free energies and binding pose of the heterocyclic compounds on CviR, LasR y MvfR, the receptor proteins in Chromobacterium violaceum, and LasR and MvfR in Pseudomonas aeruginosa respectively. To this docking study a set of heterocycles: imidazoline, thiazoline, quinoxalin-2-(1H)-onas, pyridines, benzimidazoles and thiazoles der”

Keywords: Quorum sensing, heterocyclic compounds, docking studies

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