scholarly journals Front Cover: Flexible Fragment Growing Boosts Potency of Quorum‐Sensing Inhibitors against Pseudomonas aeruginosa Virulence (ChemMedChem 2/2020)

ChemMedChem ◽  
2020 ◽  
Vol 15 (2) ◽  
pp. 176-176
Author(s):  
Michael Zender ◽  
Florian Witzgall ◽  
Alexander Kiefer ◽  
Benjamin Kirsch ◽  
Christine K. Maurer ◽  
...  
Keyword(s):  
Pseudomonas Aeruginosa ◽  
Quorum Sensing ◽  
Front Cover ◽  
Quorum Sensing Inhibitors

scholarly journals Itaconimides as Novel Quorum Sensing Inhibitors of Pseudomonas aeruginosa

2019 ◽  
Vol 8 ◽  
Author(s):  
July Fong ◽  
Kim T. Mortensen ◽  
Amalie Nørskov ◽  
Katrine Qvortrup ◽  
Liang Yang ◽  
...  
Keyword(s):  
Pseudomonas Aeruginosa ◽  
Quorum Sensing ◽  
Quorum Sensing Inhibitors

Bioactive proteins from Solanaceae as quorum sensing inhibitors against virulence in Pseudomonas aeruginosa

2015 ◽  
Vol 84 (6) ◽  
pp. 539-542 ◽  
Author(s):  
Gurpreet Singh ◽  
Ekant Tamboli ◽  
Aurovind Acharya ◽  
Chellan Kumarasamy ◽  
Kanchana Mala ◽  
...  
Keyword(s):  
Pseudomonas Aeruginosa ◽  
Quorum Sensing ◽  
Quorum Sensing Inhibitors ◽  
Bioactive Proteins

scholarly journals Computer-Aided Identification of Recognized Drugs as Pseudomonas aeruginosa Quorum-Sensing Inhibitors

2009 ◽  
Vol 53 (6) ◽  
pp. 2432-2443 ◽  
Author(s):  
Liang Yang ◽  
Morten Theil Rybtke ◽  
Tim Holm Jakobsen ◽  
Morten Hentzer ◽  
Thomas Bjarnsholt ◽  
...  
Keyword(s):  
Pseudomonas Aeruginosa ◽  
Virtual Screening ◽  
Quorum Sensing ◽  
Bacterial Infections ◽  
Treatment Strategies ◽  
Significant Inhibition ◽  
Dependent Manner ◽  
Chronic Infections ◽  
Quorum Sensing Inhibitors ◽  
Regulated Gene Expression

ABSTRACT Attenuation of Pseudomonas aeruginosa virulence by the use of small-molecule quorum-sensing inhibitors (referred to as the antipathogenic drug principle) is likely to play a role in future treatment strategies for chronic infections. In this study, structure-based virtual screening was used in a search for putative quorum-sensing inhibitors from a database comprising approved drugs and natural compounds. The database was built from compounds which showed structural similarities to previously reported quorum-sensing inhibitors, the ligand of the P. aeruginosa quorum-sensing receptor LasR, and a quorum-sensing receptor agonist. Six top-ranking compounds, all recognized drugs, were identified and tested for quorum-sensing-inhibitory activity. Three compounds, salicylic acid, nifuroxazide, and chlorzoxazone, showed significant inhibition of quorum-sensing-regulated gene expression and related phenotypes in a dose-dependent manner. These results suggest that the identified compounds have the potential to be used as antipathogenic drugs. Furthermore, the results indicate that structure-based virtual screening is an efficient tool in the search for novel compounds to combat bacterial infections.

Copper(ii) complexes with aromatic nitrogen-containing heterocycles as effective inhibitors of quorum sensing activity in Pseudomonas aeruginosa

RSC Advances ◽  
2016 ◽  
Vol 6 (89) ◽  
pp. 86695-86709 ◽  
Author(s):  
Biljana Đ. Glišić ◽  
Ivana Aleksic ◽  
Peter Comba ◽  
Hubert Wadepohl ◽  
Tatjana Ilic-Tomic ◽  
...  
Keyword(s):  
Pseudomonas Aeruginosa ◽  
Quorum Sensing ◽  
Bacterial Growth ◽  
Lower Risk ◽  
Pronounced Effect ◽  
Resistance Development ◽  
New Class ◽  
Quorum Sensing Inhibitors

Copper(ii) complexes with aromatic nitrogen-containing heterocycles are a new class of quorum sensing inhibitors that attenuate virulence without a pronounced effect on the bacterial growth, thus offering a lower risk for resistance development.

scholarly journals Energy-Optimized Pharmacophore Coupled Virtual Screening in the Discovery of Quorum Sensing Inhibitors of LasR Protein of Pseudomonas aeruginosa

2019 ◽  
Author(s):  
Zulkar Nain ◽  
Sifat Bin Sayed ◽  
Mohammad Minnatul Karim ◽  
Md. Ariful Islam ◽  
Utpal Kumar Adhikari
Keyword(s):  
Pseudomonas Aeruginosa ◽  
Virtual Screening ◽  
Quorum Sensing ◽  
Bacterial Infections ◽  
Opportunistic Pathogen ◽  
Vital Role ◽  
Energy Calculation ◽  
Quorum Sensing Inhibitors ◽  
Binding Energy Calculation ◽  
Standard Precision

Pseudomonas aeruginosa is an emerging opportunistic pathogen responsible for cystic fibrosis and nosocomial infections. In addition, empirical treatments are become inefficient due to their multiple-antibiotic resistance and extensive colonizing ability. Quorum sensing (QS) plays a vital role in the regulation of virulence factors in P. aeruginosa. Attenuation of virulence by QS inhibition could be an alternative and effective approach to control infections. Therefore, we sought to discover new QS inhibitors (QSIs) against LasR receptor in P. aeruginosa using chemoinformatics. Initially, a structure-based high-throughput virtual screening was performed using the LasR active site that identified 61404 relevant molecules. E-pharmacophore (ADAHH) screening of these molecules rendered 72 QSI candidates. In standard-precision docking, only 7 compounds were found as potential QSIs due to their higher binding affinity to LasR receptor (-7.53 to -10.32 kcal/mol compared to -7.43 kcal/mol of native ligands). The ADMET properties of these compounds were suitable to be QSIs. Later, extra-precision docking and binding energy calculation suggested ZINC19765885 and ZINC72387263 as the most promising QSIs. The dynamic simulation of the docked complexes showed good binding stability and molecular interactions. The current study suggested that these two compounds could be used in P. aeruginosa QS inhibition to combat bacterial infections.

Design, synthesis and evaluation of halogenated furanone derivatives as quorum sensing inhibitors in Pseudomonas aeruginosa

2019 ◽  
Vol 140 ◽  
pp. 105058 ◽  
Author(s):  
Yiqun Chang ◽  
Peng-Cheng Wang ◽  
Hong-Ming Ma ◽  
Si-Yu Chen ◽  
Yu-Hang Fu ◽  
...  
Keyword(s):  
Pseudomonas Aeruginosa ◽  
Quorum Sensing ◽  
Design Synthesis ◽  
Quorum Sensing Inhibitors
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