DFT and GA Studies on the QSAR of 2-aryl-5-nitro-1H-indole derivatives as NorA Efflux Pump Inhibitors

2008 ◽  
Vol 14 (9) ◽  
pp. 807-812 ◽  
Author(s):  
Yujie Dai ◽  
Xu Zhang ◽  
Xiuli Zhang ◽  
Huanjie Wang ◽  
Zhansheng Lu
Keyword(s):  
Efflux Pump ◽  
Indole Derivatives ◽  
Efflux Pump Inhibitors

scholarly journals Microbial Efflux Pump Inhibitors: A Journey around Quinoline and Indole Derivatives

Molecules ◽  
2021 ◽  
Vol 26 (22) ◽  
pp. 6996
Author(s):  
Giada Cernicchi ◽  
Tommaso Felicetti ◽  
Stefano Sabatini
Keyword(s):  
Efflux Pump ◽  
Specific Resistance ◽  
Resistance Mechanisms ◽  
Future Research ◽  
Indole Derivatives ◽  
Great Opportunity ◽  
Structure Activity ◽  
New Antibiotics ◽  
Efflux Pump Inhibitors ◽  
Inhibitory Drug

Antimicrobial resistance (AMR) is a complex threat to human health and, to date, it represents a hot topic in drug discovery. The use of non-antibiotic molecules to block resistance mechanisms is a powerful alternative to the identification of new antibiotics. Bacterial efflux pumps exert the early step of AMR development, allowing the bacteria to grow in presence of sub-inhibitory drug concentration and develop more specific resistance mechanisms. Thus, efflux pump inhibitors (EPIs) offer a great opportunity to fight AMR, potentially restoring antibiotic activity. Based on our experience in designing and synthesizing novel EPIs, herein, we retrieved information around quinoline and indole derivatives reported in literature on this topic. Thus, our aim was to collect all data around these promising classes of EPIs in order to delineate a comprehensive structure–activity relationship (SAR) around each core for different microbes. With this review article, we aim to help future research in the field in the discovery of new microbial EPIs with improved activity and a better safety profile.

Screening of Natural Products and Derivatives for the Identification of RND Efflux Pump Inhibitors

2016 ◽  
Vol 19 (9) ◽  
pp. 705-713 ◽  
Author(s):  
Debarati Choudhury ◽  
Anupam Talukdar ◽  
Pankaj Chetia ◽  
Amitabha Bhattacharjee ◽  
Manabendra Choudhury
Keyword(s):  
Natural Products ◽  
Efflux Pump ◽  
Rnd Efflux Pump ◽  
Efflux Pump Inhibitors

Virtual Screening for Novel Staphylococcus Aureus NorA Efflux Pump Inhibitors From Natural Products

2015 ◽  
Vol 11 (2) ◽  
pp. 135-155 ◽  
Author(s):  
Khac-Minh Thai ◽  
Trieu-Du Ngo ◽  
Thien-Vy Phan ◽  
Thanh-Dao Tran ◽  
Ngoc-Vinh Nguyen ◽  
...  
Keyword(s):  
Staphylococcus Aureus ◽  
Natural Products ◽  
Virtual Screening ◽  
Efflux Pump ◽  
Efflux Pump Inhibitors

scholarly journals From quinoline to quinazoline‐based S. aureus NorA efflux pump inhibitors by coupling focused scaffold hopping approach and pharmacophore search

ChemMedChem ◽  
2021 ◽  
Author(s):  
Nicholas Cedraro ◽  
Rolando Cannalire ◽  
Andrea Astolfi ◽  
Gianmarco Mangiaterra ◽  
Tommaso Felicetti ◽  
...  
Keyword(s):  
Efflux Pump ◽  
Scaffold Hopping ◽  
Efflux Pump Inhibitors

scholarly journals Microbial Efflux Systems and Inhibitors: Approaches to Drug Discovery and the Challenge of Clinical Implementation

2013 ◽  
Vol 7 (1) ◽  
pp. 34-52 ◽  
Author(s):  
Christina Kourtesi ◽  
Anthony R Ball ◽  
Ying-Ying Huang ◽  
Sanjay M Jachak ◽  
D Mariano A Vera ◽  
...  
Keyword(s):  
Efflux Pump ◽  
Major Theme ◽  
Clinical Implementation ◽  
Multidrug Efflux ◽  
Efflux System ◽  
Development Path ◽  
Microbial Infections ◽  
Efflux Pump Inhibitors ◽  
Shed Light

Conventional antimicrobials are increasingly ineffective due to the emergence of multidrug-resistance among pathogenic microorganisms. The need to overcome these deficiencies has triggered exploration for novel and unconventional approaches to controlling microbial infections. Multidrug efflux systems (MES) have been a profound obstacle in the successful deployment of antimicrobials. The discovery of small molecule efflux system blockers has been an active and rapidly expanding research discipline. A major theme in this platform involves efflux pump inhibitors (EPIs) from natural sources. The discovery methodologies and the available number of natural EPI-chemotypes are increasing. Advances in our understanding of microbial physiology have shed light on a series of pathways and phenotypes where the role of efflux systems is pivotal. Complementing existing antimicrobial discovery platforms such as photodynamic therapy (PDT) with efflux inhibition is a subject under investigation. This core information is a stepping stone in the challenge of highlighting an effective drug development path for EPIs since the puzzle of clinical implementation remains unsolved. This review summarizes advances in the path of EPI discovery, discusses potential avenues of EPI implementation and development, and underlines the need for highly informative and comprehensive translational approaches.

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