Molecular Dynamics Studies on the Bacterial Membrane Pore Formation by Small Molecule Antimicrobial Agents

In Vitro and in Vivo Evaluation of Membrane-Active Flavone Amphiphiles: Semisynthetic Kaempferol-Derived Antimicrobials against Drug-Resistant Gram-Positive Bacteria

(2020) Shuimu Lin et al.   JOURNAL OF MEDICINAL CHEMISTRY

A novel, rationally designed, hybrid antimicrobial peptide, inspired by cathelicidin and aurein, exhibits membrane-active mechanisms against Pseudomonas aeruginosa

(2020) Natthaporn Klubthawee et al.   Scientific Reports

Mechanistic Landscape of Membrane-Permeabilizing Peptides

(2019) Shantanu Guha et al.   CHEMICAL REVIEWS

Very Short and Stable Lactoferricin-Derived Antimicrobial Peptides: Design Principles and Potential Uses

(2019) John S. Mjøen Svendsen et al.   ACCOUNTS OF CHEMICAL RESEARCH

Methicillin-resistant Staphylococcus aureus

(2018) Andie S. Lee et al.   Nature Reviews Disease Primers

Antibacterial activity of flavonoids and their structure-activity relationship: An update review

(2018) Faegheh Farhadi et al.   PHYTOTHERAPY RESEARCH

Potential of mean force for insertion of antimicrobial peptide melittin into a pore in mixed DOPC/DOPG lipid bilayer by molecular dynamics simulation

(2017) Yuan Lyu et al.   JOURNAL OF CHEMICAL PHYSICS

Membrane-Active Hydantoin Derivatives as Antibiotic Agents

(2017) Ma Su et al.   JOURNAL OF MEDICINAL CHEMISTRY

Brevibacillin, a cationic lipopeptide that binds to lipoteichoic acid and subsequently disrupts cytoplasmic membrane of Staphylococcus aureus

(2017) Xu Yang et al.   MICROBIOLOGICAL RESEARCH

Computational studies of peptide-induced membrane pore formation

(2017) Richard Lipkin et al.   PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY B-BIOLOGICAL SCIENCES

FATSLiM: a fast and robust software to analyze MD simulations of membranes

(2016) Sébastien Buchoux   BIOINFORMATICS

Antimicrobial Peptide Simulations and the Influence of Force Field on the Free Energy for Pore Formation in Lipid Bilayers

(2016) W. F. Drew Bennett et al.   Journal of Chemical Theory and Computation

Small Antimicrobial Agents Based on Acylated Reduced Amide Scaffold

(2016) Peng Teng et al.   JOURNAL OF MEDICINAL CHEMISTRY

An Independent Evaluation of a Novel Peptide Mimetic, Brilacidin (PMX30063), for Ocular Anti-Infective

(2016) Regis P. Kowalski et al.   JOURNAL OF OCULAR PHARMACOLOGY AND THERAPEUTICS

The Structure of a Melittin-Stabilized Pore

(2015) John M. Leveritt et al.   BIOPHYSICAL JOURNAL

Atomistic Simulations of Pore Formation and Closure in Lipid Bilayers

(2014) W. F. Drew Bennett et al.   BIOPHYSICAL JOURNAL

Combination approaches to combat multidrug-resistant bacteria

(2013) Roberta J. Worthington et al.   TRENDS IN BIOTECHNOLOGY

Charge distribution and imperfect amphipathicity affect pore formation by antimicrobial peptides

(2012) Maja Mihajlovic et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

Avogadro: an advanced semantic chemical editor, visualization, and analysis platform

(2012) Marcus D Hanwell et al.   Journal of Cheminformatics

Recent advances in understanding the antibacterial properties of flavonoids

(2011) T.P. Tim Cushnie et al.   INTERNATIONAL JOURNAL OF ANTIMICROBIAL AGENTS

Designing antimicrobial peptides: form follows function

(2011) Christopher D. Fjell et al.   NATURE REVIEWS DRUG DISCOVERY

Cationic Amphiphiles, a New Generation of Antimicrobials Inspired by the Natural Antimicrobial Peptide Scaffold

(2010) B. Findlay et al.   ANTIMICROBIAL AGENTS AND CHEMOTHERAPY

De Novo Design of Antimicrobial Polymers, Foldamers, and Small Molecules: From Discovery to Practical Applications

(2009) Gregory N. Tew et al.   ACCOUNTS OF CHEMICAL RESEARCH

Multidrug Resistance in Bacteria

(2009) Hiroshi Nikaido   Annual Review of Biochemistry

CHARMM general force field: A force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields

(2009) K. Vanommeslaeghe et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Toroidal pores formed by antimicrobial peptides show significant disorder

(2008) Durba Sengupta et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

Lipid domains in bacterial membranes and the action of antimicrobial agents

(2008) Richard M. Epand et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

Control of cell selectivity of antimicrobial peptides

(2008) Katsumi Matsuzaki   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

Peptide Aggregation and Pore Formation in a Lipid Bilayer: A Combined Coarse-Grained and All Atom Molecular Dynamics Study

(2008) Lea Thøgersen et al.   BIOPHYSICAL JOURNAL

CHARMM-GUI: A web-based graphical user interface for CHARMM

(2008) Sunhwan Jo et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Mechanism and kinetics of pore formation in membranes by water-soluble amphipathic peptides

(2008) Ming-Tao Lee et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA