Combining in Silico and Biophysical Methods for the Development of Pseudomonas aeruginosa Quorum Sensing Inhibitors: An Alternative Approach for Structure-Based Drug Design

2013 ◽  
Vol 56 (21) ◽  
pp. 8656-8664 ◽  
Author(s):  
J. Henning Sahner ◽  
Christian Brengel ◽  
Michael P. Storz ◽  
Matthias Groh ◽  
Alberto Plaza ◽  
...  
Keyword(s):  
Pseudomonas Aeruginosa ◽  
Quorum Sensing ◽  
Drug Design ◽  
In Silico ◽  
Structure Based Drug Design ◽  
Quorum Sensing Inhibitors ◽  
Alternative Approach

In silico Identification of Novel Compounds as Quorum-Sensing Inhibitors in Selected Waterborne Pathogens

2021 ◽  
Vol 10 (2) ◽  
pp. 366-377
Author(s):  
Khirsten Marie Bawar ◽  
Leannie Praise Cruz ◽  
Kristine Bernadette Ilao ◽  
Julianne Mica Justiniano ◽  
Lara Mae Panganiban ◽  
...  
Keyword(s):  
Quorum Sensing ◽  
In Silico ◽  
Waterborne Pathogens ◽  
Quorum Sensing Inhibitors ◽  
In Silico Identification

scholarly journals Re-Designing Hazardous Chemicals with Target-Specific Toxicities by Learning from Structure-Based Drug Design

2018 ◽  
Author(s):  
Traci Clymer ◽  
Vanessa Vargas ◽  
Eric Corcoran ◽  
Robin Kleinberg ◽  
Jakub Kostal
Keyword(s):  
Drug Discovery ◽  
Drug Design ◽  
Adverse Effects ◽  
Environmental Health ◽  
In Silico ◽  
Adverse Outcomes ◽  
Design Stage ◽  
Hazardous Chemicals ◽  
Structure Based Drug Design ◽  
Computational Drug Discovery

Chemicals are the basis of our society and economy, yet many existing chemicals are known to have unintended adverse effects on human and environmental health. Testing all existing and new chemicals on animals is both economically and ethically unfeasible. In this paper, a new in silico framework is presented that affords redesign of existing hazardous chemicals in commerce based on specific molecular initiating events in their adverse outcomes pathways. Our approach is based on a successful methodology implemented in computational drug discovery, and promises to dramatically lower costs associated with new chemical development by synergistically addressing chemical function and safety at the design stage. <br>

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
Sign in / Sign up

Export Citation Format

Share Document