2018
DOI: 10.1101/500157
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Mechanistic insights of the attenuation of quorum-sensing-dependent virulence factors of Pseudomonas aeruginosa: Molecular modeling of the interaction of taxifolin with transcriptional regulator LasR

Abstract: Pseudomonas aeruginosa is one of the most dangerous superbugs and is responsible for both acute and chronic infection. Current therapies are not effective because of biofilms that increase antibiotic resistance. Bacterial virulence and biofilm formation are regulated through a system called quorum sensing, which includes transcriptional regulators LasR and RhIR. These regulators are activated by their own natural autoinducers. Targeting this system is a promising strategy to combat bacterial pathogenicity. Fla… Show more

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Cited by 5 publications
(4 citation statements)
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References 43 publications
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“…Later cluster analysis was performed on the COM data using the Density-based spatial clustering of applications with noise (DBSCAN) algorithm [49], which is a well-known data clustering algorithm that is commonly used in data mining and machine learning. Blind docking methodology was based on a previous study [50], which uses pandas [51], scikit-learn [52] and openbabel [53]. After that centroid conformations were extracted from the common clusters for all the programs.…”
Section: Analysis Of Docking Results: Conformations and Trajectoriesmentioning
confidence: 99%
See 1 more Smart Citation
“…Later cluster analysis was performed on the COM data using the Density-based spatial clustering of applications with noise (DBSCAN) algorithm [49], which is a well-known data clustering algorithm that is commonly used in data mining and machine learning. Blind docking methodology was based on a previous study [50], which uses pandas [51], scikit-learn [52] and openbabel [53]. After that centroid conformations were extracted from the common clusters for all the programs.…”
Section: Analysis Of Docking Results: Conformations and Trajectoriesmentioning
confidence: 99%
“…Large amount of conformations were necessary to obtain good sampling and for further cluster analysis. We performed Principal component analysis of the COM coordinates of artemisinin conformations [50] (Fig. 5a).…”
Section: Molecular Docking Of Hsa With аRт and Dexamentioning
confidence: 99%
“…The QS network controls bacterial virulence and biofilm-forming ability. It includes transcriptional regulators such as Las and Rhl, activated by their natural autoinducers [22] .…”
Section: Discussionmentioning
confidence: 99%
“…1 ), interacted with and inhibited the LasR protein. For instance, hispidulin ( Anju et al, 2022 ), quercetin ( Grabski & Tiratsuyan, 2020 ), luteolin ( Geng et al, 2021 ), naringenin ( Hernando-Amado et al, 2020 ), taxifolin ( Grabski & Tiratsuyan, 2018 ) and catechin ( Chaieb et al, 2022 ) exhibited high inhibition potentialities against the LasR protein offering promising hope for the development of novel therapeutic strategies to combat infections caused by P. aeruginosa . The inhibition of LasR activity disrupts the quorum sensing system of P. aeruginosa , interfering with its ability to coordinate and carry out virulent activities leading to decreased virulence factors production ( Smith & Iglewski, 2003 ).…”
Section: Introductionmentioning
confidence: 99%