[PDF][PDF] Anticancer drugs as potential inhibitors of AcrAB-TolC of multidrug resistant Escherichia coli: an in silico molecular modeling and docking study

P GUPTA, N RAI, P GAUTAM - Anticancer Drugs, 2015 - academia.edu
ABSTRACT Objective: Overexpression of AcrAB-TolC protein complex is often associated
with the virulence of multidrug-resistant bacteria. Development of an effective efflux pump …

The search of potential inhibitors of the AcrAB–TolC system of multidrug-resistant Escherichia coli: an in silico approach

H Abdel-Halim, A Al Dajani, A Abdelhalim… - Applied microbiology …, 2019 - Springer
The number of infections caused by multidrug antibiotic resistance (MDR) species is
increasing globally. The efflux pump system, AcrAB–TolC, confers Escherichia coli …

3D-Pharmacophore and Molecular Docking Studies for AcrAB-TolC Efflux Pump Potential Inhibitors from DrugBank and Traditional Chinese Medical Database

TV Phan - Open Access Macedonian Journal of Medical Sciences, 2022 - oamjms.eu
Background: Due to the widespread resistance to several antibiotics, the AcrAB-TolC
tripartite efflux pump is the primary multi-drug efflux system of Escherichia coli. One of the …

Discovery of AcrAB-TolC pump inhibitors: Virtual screening and molecular dynamics simulation approach

TV Phan, VTV Nguyen, CHH Nguyen… - Journal of …, 2023 - Taylor & Francis
AcrAB-TolC tripartite efflux pump, which belongs to the RND superfamily, is a main multi-
drug efflux system of Escherichia coli (E. coli) because of the broad resistance on various …

Combined Structure- and Ligand-Based Approach for the Identification of Inhibitors of AcrAB-TolC in Escherichia coli

LA Pisoni, SJ Semple, S Liu, MJ Sykes… - ACS Infectious …, 2023 - ACS Publications
The inhibition of efflux pumps is a promising approach to combating multidrug-resistant
bacteria. We have developed a combined structure-and ligand-based model, using …

Targeting outer membrane protein component AdeC for the discovery of efflux pump inhibitor against AdeABC efflux pump of multidrug resistant Acinetobacter …

P Verma, V Tiwari - Cell Biochemistry and Biophysics, 2018 - Springer
The structure and functioning of multidrug efflux systems provide us with a better
understanding of the transport of various antibiotics, thus giving a path for the discovery of …

Identification of Natural Compound Inhibitors for Multidrug Efflux Pumps of Escherichia coli and Pseudomonas aeruginosa Using In Silico High-Throughput Virtual Screening …

V Aparna, K Dineshkumar, N Mohanalakshmi… - PloS one, 2014 - journals.plos.org
Pseudomonas aeruginosa and Escherichia coli are resistant to wide range of antibiotics
rendering the treatment of infections very difficult. A main mechanism attributed to the …

Discovering targeted inhibitors for Escherichia coli efflux pump fusion proteins using computational and structure‐guided approaches

SS Chauhan, A Gupta, A Srivastava… - Journal of …, 2024 - Wiley Online Library
Multidrug resistance pathogens causing infections and illness remain largely untreated
clinically. Efflux pumps are one of the primary processes through which bacteria develop …

Binding site feature description of 2-substituted benzothiazoles as potential AcrAB-TolC efflux pump inhibitors in E. coli

S Yilmaz, G Altinkanat-Gelmez, K Bolelli… - SAR and QSAR in …, 2015 - Taylor & Francis
The resistance-nodulation-division (RND) family efflux pumps are important in the antibiotic
resistance of Gram-negative bacteria. However, although a number of bacterial RND efflux …

[HTML][HTML] Required criteria of drug efflux pump inhibitors to disrupt the function of AcrB subunit protein from AcrAB-TolC multidrug efflux pump from Escherichia coli

R Alenazy - Journal of King Saud University-Science, 2024 - Elsevier
The infections of multidrug-resistant bacteria, particularly the infections caused by Gram-
negative bacterial infections, are considered the main global serious health problems …