[HTML][HTML] Quorum quenching: a drug discovery approach against Pseudomonas aeruginosa

MA Rather, D Saha, S Bhuyan, AN Jha… - Microbiological …, 2022 - Elsevier
Pseudomonas aeruginosa, a ubiquitous opportunistic and nosocomial biofilm-forming
pathogen with complex, interconnected and hierarchical nature of QS systems (Las, Rhl …

Recent developments in free energy calculations for drug discovery

E King, E Aitchison, H Li, R Luo - Frontiers in Molecular Biosciences, 2021 - frontiersin.org
The grand challenge in structure-based drug design is achieving accurate prediction of
binding free energies. Molecular dynamics (MD) simulations enable modeling of …

Identification of new potential inhibitors of quorum sensing through a specialized multi-level computational approach

FG Martins, A Melo, SF Sousa - Molecules, 2021 - mdpi.com
Biofilms are aggregates of microorganisms anchored to a surface and embedded in a self-
produced matrix of extracellular polymeric substances and have been associated with 80 …

Identification of α-Glucosidase Inhibitors from Scutellaria edelbergii: ESI-LC-MS and Computational Approach

M Shah, H Rahman, A Khan, S Bibi, O Ullah, S Ullah… - Molecules, 2022 - mdpi.com
The recent study investigated the in vitro anti-diabetic impact of the crude extract (MeOH)
and subfractions ethyl acetate (EtOAc); chloroform; n-butanol; n-hexane; and aqueous …

[HTML][HTML] The transcriptional regulators of virulence for Pseudomonas aeruginosa: Therapeutic opportunity and preventive potential of its clinical infections

X Shao, C Yao, Y Ding, H Hu, G Qian, M He, X Deng - Genes & Diseases, 2023 - Elsevier
In Pseudomonas aeruginosa (P. aeruginosa), transcription factors (TFs) are important
mediators in the genetic regulation of adaptability and pathogenicity to respond to multiple …

[HTML][HTML] Virtual screening and in vitro experimental verification of LuxS inhibitors from natural products for Lactobacillus reuteri

F Meng, F Zhang, Q Chen, M Yang, Y Yang, X Li… - Biomedicine & …, 2022 - Elsevier
The rapid proliferation and colonization of probiotics in the intestines are essential for
human health. Quorum sensing (QS) is a communication mechanism among bacteria, which …

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 …

Antibacterial, anticandidal, and antibiofilm potential of fenchone: in vitro, molecular docking and in silico/ADMET study

W Ahmad, MA Ansari, M Yusuf, M Amir, S Wahab… - Plants, 2022 - mdpi.com
The aim of the present study is to investigate the effective antimicrobial and antibiofilm
properties of fenchone, a biologically active bicyclic monoterpene, against infections caused …

Ultrasonic-Assisted Synthesis of Heterocyclic Curcumin Analogs as Antidiabetic, Antibacterial, and Antioxidant Agents Combined with in vitro and in silico Studies

D Zelelew, M Endale, Y Melaku… - … and Applications in …, 2023 - Taylor & Francis
Background Heterocyclic analogs of curcumin have a wide range of therapeutic potential
and the ability to control the activity of a variety of metabolic enzymes. Methods 1H-NMR and …

Molecular characterization, purification, and mode of action of enterocin KAE01 from lactic acid bacteria and its in silico analysis against MDR/ESBL Pseudomonas …

A Bashir, K Ali, K Bux, N Farid, M Khaireabadi… - Genes, 2022 - mdpi.com
Bacteriocins are gaining immense importance in therapeutics since they show significant
antibacterial potential. This study reports the bacteriocin KAE01 from Enterococcus faecium …