In silico Molecular Docking, DFT Analysis and ADMET Studies of Carbazole Alkaloid and Coumarins from Roots of Clausena anisata: A Potent Inhibitor for Quorum …

R Eswaramoorthy, H Hailekiros, F Kedir… - … and Applications in …, 2021 - Taylor & Francis
Introduction In modern drug design, in silico methods are largely used to understand drug-
receptor interactions and quantum chemical properties. In the present study, a …

Quorum Sensing Inhibitory Potential and Molecular Docking Studies of Phyllanthus emblica Phytochemicals Against Pseudomonas aeruginosa

S Baburam, S Ramasamy, G Shanmugam… - Applied Biochemistry …, 2022 - Springer
Phyllanthus emblica is a traditional medicinal plant that is endowed with curative properties
including anti-bacterial, anti-fungal, anti-viral, and analgesic properties. Bacteria make use …

[HTML][HTML] In silico identification of albendazole as a quorum sensing inhibitor and its in vitro verification using CviR and LasB receptors based assay systems

S Singh, S Bhatia - BioImpacts: BI, 2018 - ncbi.nlm.nih.gov
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Introduction: Quorum sensing inhibition (QSI) is one of the vital tools to overcome emerging …

Energy-optimized pharmacophore coupled virtual screening in the discovery of quorum sensing inhibitors of LasR protein of Pseudomonas aeruginosa

Z Nain, SB Sayed, MM Karim, MA Islam… - Journal of …, 2020 - Taylor & Francis
Pseudomonas aeruginosa is an emerging opportunistic pathogen responsible for cystic
fibrosis and nosocomial infections. In addition, empirical treatments are become inefficient …

Computational screening of natural compounds as putative quorum sensing inhibitors targeting drug resistance bacteria: Molecular docking and molecular dynamics …

K Chaieb, B Kouidhi, SB Hosawi… - Computers in Biology …, 2022 - Elsevier
Quorum sensing (QS) is a bacterial communication strategy controlling cells density, biofilm
formation, virulence, sporulation, and survival. Since QS is considered a virulence factor in …

Computational discovery of putative quorum sensing inhibitors against LasR and RhlR receptor proteins of Pseudomonas aeruginosa

A Annapoorani, V Umamageswaran… - Journal of computer …, 2012 - Springer
Drugs have been discovered in the past mainly either by identification of active components
from traditional remedies or by unpredicted discovery. A key motivation for the study of …

Attenuation of Pseudomonas aeruginosa Quorum Sensing by Natural Products: Virtual Screening, Evaluation and Biomolecular Interactions

L Zhong, V Ravichandran, N Zhang, H Wang… - International journal of …, 2020 - mdpi.com
Natural products play vital roles against infectious diseases since ancient times and most
drugs in use today are derived from natural sources. Worldwide, multi-drug resistance …

In silico and biological activity evaluation of quercetin-boron hybrid compounds, anti-quorum sensing effect as alternative potential against microbial resistance

H Temel, M Atlan, B Türkmenoğlu, A Ertaş… - Journal of Trace …, 2023 - Elsevier
Boronic acid compounds and the natural flavonoid compound quercetin were handled to
synthesize two novel ligands encoded as B1 (2, 2′-(1, 4-phenylenebis (benzo [1, 3, 2] …

Cheminformatics Bioprospection of Sunflower Seeds' Oils against Quorum Sensing System of Pseudomonas aeruginosa

NW S'thebe, JO Aribisala, S Sabiu - Antibiotics, 2023 - mdpi.com
Clinically significant pathogens such as Pseudomonas aeruginosa evade the effects of
antibiotics using quorum sensing (QS) systems, making antimicrobial resistance (AMR) a …

Identification of novel candidates for inhibition of LasR, a quorum-sensing receptor of multidrug resistant Pseudomonas aeruginosa, through a specialized multi-level …

RP Magalhães, TF Vieira, A Melo… - Molecular Systems Design …, 2022 - pubs.rsc.org
The emergence of multi-drug resistant bacteria in the past decades has become one of the
major public health issues of our time. One of the main mechanisms of resistance and …