Interactions Between Polymyxin B and Various Bacterial Membrane Mimics: A Molecular Dynamics Study

2021 ◽  
pp. 112288
Author(s):  
Yuliang Sun ◽  
Zhixiong Deng ◽  
Xukai Jiang ◽  
Bing Yuan ◽  
Kai Yang
Keyword(s):  
Molecular Dynamics ◽  
Polymyxin B ◽  
Bacterial Membrane ◽  
Membrane Mimics

scholarly journals Towards designing globular antimicrobial peptide mimics: role of polar functional groups in biomimetic ternary antimicrobial polymers

Soft Matter ◽  
2021 ◽  
Author(s):  
Garima Rani ◽  
Kenichi Kuroda ◽  
Satyavani Vemparala
Keyword(s):  
Molecular Dynamics ◽  
Antimicrobial Peptide ◽  
Bacterial Membrane ◽  
Simulation Data ◽  
Antimicrobial Polymers ◽  
Polar Groups ◽  
Methacrylate Polymers ◽  
Dynamics Simulations ◽  
Polar Functional Groups

Using atomistic molecular dynamics simulations, we study the interaction of ternary methacrylate polymers, composed of charged cationic, hydrophobic and neutral polar groups, with model bacterial membrane. Our simulation data shows...

scholarly journals Synergism between Magainin 2 and PGLa in Bacterial Membrane Mimics Leads to Membrane Fusion and Sponge Phase Formation

2020 ◽  
Vol 118 (3) ◽  
pp. 343a ◽  
Author(s):  
Ivo Kabelka ◽  
Michael Pachler ◽  
Sylvain Prévost ◽  
Ilse Letofsky-Papst ◽  
Karl Lohner ◽  
...  
Keyword(s):  
Membrane Fusion ◽  
Phase Formation ◽  
Bacterial Membrane ◽  
Membrane Mimics ◽  
Sponge Phase

scholarly journals Structural characterization of the antimicrobial peptides myxinidin and WMR in bacterial membrane mimetic micelles and bicelles

2021 ◽  
Author(s):  
Yevhen K. Cherniavskyi ◽  
Rosario Oliva ◽  
Marco Stellato ◽  
Pompea Del Vecchio ◽  
Stefania Galdiero ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Antimicrobial Peptides ◽  
Molecular Dynamics Simulations ◽  
Lipid Bilayers ◽  
Structural Characterization ◽  
Bacterial Membrane ◽  
Membrane Composition ◽  
Membrane Mimetic ◽  
Dynamics Simulations

Antimicrobial peptides are a promising class of alternative antibiotics that interact selectively with negatively charged lipid bilayers. This paper presents the structural characterization of the antimicrobial peptides myxinidin and WMR associated with bacterial membrane mimetic micelles and bicelles by NMR, CD spectroscopy, and Molecular Dynamics simulations. Both peptides adopt a different conformation in the lipidic environment than in aqueous solution. The location of peptides in micelles and bicelles has been studied by paramagnetic relaxation enhancement experiments with paramagnetic tagged 5- and 16-doxyl stearic acid (5-/16-SASL). Multi-microsecond long molecular dynamics simulations of multiple copies of the peptides were used to gain an atomic level of detail on membrane-peptide and peptide-peptide interactions. Our results highlight an essential role of the negatively charged membrane mimetic in the structural stability of both myxinidin and WMR. The peptides localize predominantly in the membrane's headgroup region and have a noticeable membrane thinning effect on the overall bilayer structure. Myxinidin and WMR show different tendency to self-aggregate, which is also influenced by the membrane composition (DOPE/DOPG versus DOPE/DOPG/CL) and can be related to the previously observed difference in the ability of the peptides to disrupt different types of model membranes.

scholarly journals Lysophosphatidylcholine Potentiates Antibacterial Activity of Polymyxin B

2020 ◽  
Vol 64 (12) ◽  
Author(s):  
Jitender Yadav ◽  
Sana Ismaeel ◽  
Ayub Qadri
Keyword(s):  
Antibacterial Activity ◽  
Polymyxin B ◽  
Resistant Bacteria ◽  
Bacterial Membrane ◽  
Gram Negative Bacteria ◽  
Drug Resistant ◽  
Antibiotic Resistant ◽  
Gram Negative ◽  
Drug Resistant Bacteria

ABSTRACT Polymyxin B, used to treat infections caused by antibiotic-resistant Gram-negative bacteria, produces nephrotoxicity at its current dosage. We show that a combination of nonbactericidal concentration of this drug and lysophosphatidylcholine (LPC) potently inhibits growth of Salmonella and at least two other Gram-negative bacteria in vitro. This combination makes bacterial membrane porous and causes degradation of DnaK, the regulator of protein folding. Polymyxin B-LPC combination may be an effective and safer regimen against drug-resistant bacteria.

scholarly journals Biomembrane mimics and their roles in anti-bacterial drug discovery

ADMET & DMPK ◽  
2017 ◽  
Vol 5 (1) ◽  
pp. 9 ◽  
Author(s):  
Xiaohui Hu ◽  
Kin Tam
Keyword(s):  
Drug Discovery ◽  
Antibacterial Therapy ◽  
Antibacterial Drug ◽  
Bacterial Membrane ◽  
Mechanistic Studies ◽  
Membrane Interaction ◽  
Membrane Mimics ◽  
Membrane Mimetic ◽  
Infection Disease ◽  
Pathogenic Microbe

Cell membrane is at the frontline of the battle between pathogenic microbe and host. A thorough understanding of bacterial membrane is fundamental to tackle infection disease. Membrane mimetic provides a powerful tool for mechanistic interrogation of drug-membrane interaction. Herein, we summarized major features of bacterial and mammalian cell in context of antibacterial therapy. Much details were given to model membranes and their application in mechanistic studies. Current challenge in antibacterial therapy and perspective of membrane mimics in antibacterial drug discovery were also provided.

scholarly journals Magainin 2 and PGLa in Bacterial Membrane Mimics I: Peptide-Peptide and Lipid-Peptide Interactions

2019 ◽  
Vol 117 (10) ◽  
pp. 1858-1869 ◽  
Author(s):  
Michael Pachler ◽  
Ivo Kabelka ◽  
Marie-Sousai Appavou ◽  
Karl Lohner ◽  
Robert Vácha ◽  
...  
Keyword(s):  
Bacterial Membrane ◽  
Membrane Mimics ◽  
Peptide Interactions

scholarly journals Structure and Orientation of Bovine Lactoferrampin in the Mimetic Bacterial Membrane as Revealed by Solid-State NMR and Molecular Dynamics Simulation

2012 ◽  
Vol 103 (8) ◽  
pp. 1735-1743 ◽  
Author(s):  
Atsushi Tsutsumi ◽  
Namsrai Javkhlantugs ◽  
Atsushi Kira ◽  
Masako Umeyama ◽  
Izuru Kawamura ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Solid State ◽  
Solid State Nmr ◽  
Dynamics Simulation ◽  
Bacterial Membrane
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