Novel MscL agonists that allow multiple antibiotics cytoplasmic access activate the channel through a common binding site

End-Point Binding Free Energy Calculation with MM/PBSA and MM/GBSA: Strategies and Applications in Drug Design

(2019) Ercheng Wang et al.   CHEMICAL REVIEWS

Bacterial Mechanosensors

(2018) Charles D. Cox et al.   Annual Review of Physiology

Novel compounds that specifically bind and modulate MscL: insights into channel gating mechanisms

(2018) Robin Wray et al.   FASEB JOURNAL

Nitro-Group-Containing Drugs

(2018) Kunal Nepali et al.   JOURNAL OF MEDICINAL CHEMISTRY

Toward Fast and Accurate Binding Affinity Prediction with pmemdGTI: An Efficient Implementation of GPU-Accelerated Thermodynamic Integration

(2017) Tai-Sung Lee et al.   Journal of Chemical Theory and Computation

Preclinical development of Ramizol, an antibiotic belonging to a new class, for the treatment of Clostridium difficile colitis

(2016) Shasha Rao et al.   JOURNAL OF ANTIBIOTICS

Dihydrostreptomycin Directly Binds to, Modulates, and Passes through the MscL Channel Pore

(2016) Robin Wray et al.   PLOS BIOLOGY

A new antibiotic with potent activity targets MscL

(2015) Irene Iscla et al.   JOURNAL OF ANTIBIOTICS

ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB

(2015) James A. Maier et al.   Journal of Chemical Theory and Computation

Accurate and Reliable Prediction of Relative Ligand Binding Potency in Prospective Drug Discovery by Way of a Modern Free-Energy Calculation Protocol and Force Field

(2015) Lingle Wang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Scanning MscL Channels with Targeted Post-Translational Modifications for Functional Alterations

(2015) Irene Iscla et al.   PLoS One

Heteromultimerization of Prokaryotic Bacterial Cyclic Nucleotide-Gated (bCNG) Ion Channels, Members of the Mechanosensitive Channel of Small Conductance (MscS) Superfamily

(2014) Hannah R. Malcolm et al.   BIOCHEMISTRY

Lipid14: The Amber Lipid Force Field

(2014) Callum J. Dickson et al.   Journal of Chemical Theory and Computation

Streptomycin potency is dependent on MscL channel expression

(2014) Irene Iscla et al.   Nature Communications

Antibiotic crisis

(2013) Laura Piddock   NEW SCIENTIST

Sensing and Responding to Membrane Tension: The Bacterial MscL Channel as a Model System

(2012) Irene Iscla et al.   BIOPHYSICAL JOURNAL

The dynamics of protein-protein interactions between domains of MscL at the cytoplasmic-lipid interface

(2012) Irene Iscla et al.   Channels

The MscS and MscL Families of Mechanosensitive Channels Act as Microbial Emergency Release Valves

(2012) Ian R. Booth et al.   JOURNAL OF BACTERIOLOGY

Develop and Test a Solvent Accessible Surface Area-Based Model in Conformational Entropy Calculations

(2012) Junmei Wang et al.   Journal of Chemical Information and Modeling

Antibiotics in the clinical pipeline in 2011

(2011) Mark S Butler et al.   JOURNAL OF ANTIBIOTICS

An in vivo screen reveals protein-lipid interactions crucial for gating a mechanosensitive channel

(2010) Irene Iscla et al.   FASEB JOURNAL

Assessing the Performance of the MM/PBSA and MM/GBSA Methods. 1. The Accuracy of Binding Free Energy Calculations Based on Molecular Dynamics Simulations

(2010) Tingjun Hou et al.   Journal of Chemical Information and Modeling

Assessing the performance of the molecular mechanics/Poisson Boltzmann surface area and molecular mechanics/generalized Born surface area methods. II. The accuracy of ranking poses generated from docking

(2010) Tingjun Hou et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Absolute Binding Free Energy Calculations of Sparsomycin Analogs to the Bacterial Ribosome

(2010) Xiaoxia Ge et al.   JOURNAL OF PHYSICAL CHEMISTRY B

YbdG inEscherichia coliis a threshold-setting mechanosensitive channel with MscM activity

(2010) Ulrike Schumann et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

The Large Mechanosensitive Channel MscL Determines Bacterial Susceptibility to the Bacteriocin Sublancin 168

(2009) T. R. H. M. Kouwen et al.   ANTIMICROBIAL AGENTS AND CHEMOTHERAPY

On the Structure of the N-Terminal Domain of the MscL Channel: Helical Bundle or Membrane Interface

(2008) Irene Iscla et al.   BIOPHYSICAL JOURNAL