Mastering the Gram-Negative Bacterial Barrier – Chemical Approaches to Increase Bacterial Bioavailability of Antibiotics

Physicochemical and Structural Parameters Contributing to the Antibacterial Activity and Efflux Susceptibility of Small Molecule Inhibitors of Escherichia coli

(2021) Sara S. El Zahed et al.   ANTIMICROBIAL AGENTS AND CHEMOTHERAPY

A Deep Learning Approach to Antibiotic Discovery

(2020) Jonathan M. Stokes et al.   CELL

Artificial intelligence in chemistry and drug design

(2020) Nathan Brown et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Fluoroquinolone Metalloantibiotics: A Promising Approach against Methicillin-Resistant Staphylococcus aureus

(2020) Mariana Ferreira et al.   International Journal of Environmental Research and Public Health

Zoliflodacin: An Oral Spiropyrimidinetrione Antibiotic for the Treatment of Neisseria gonorrheae, Including Multi-Drug-Resistant Isolates

(2020) Patricia A. Bradford et al.   ACS Infectious Diseases

Kanamycin Uptake into Escherichia coli Is Facilitated by OmpF and OmpC Porin Channels Located in the Outer Membrane

(2020) Jayesh Arun Bafna et al.   ACS Infectious Diseases

Lead Identification of 8-(Methylamino)-2-oxo-1,2-dihydroquinoline Derivatives as DNA Gyrase Inhibitors: Hit-to-Lead Generation Involving Thermodynamic Evaluation

(2020) Fumihito Ushiyama et al.   ACS Omega

Fsp3: A new parameter for drug-likeness

(2020) Wenxiu Wei et al.   DRUG DISCOVERY TODAY

Topoisomerase Inhibitors Addressing Fluoroquinolone Resistance in Gram-Negative Bacteria

(2020) Colin K. Skepper et al.   JOURNAL OF MEDICINAL CHEMISTRY

The challenge of intracellular antibiotic accumulation, a function of fluoroquinolone influx versus bacterial efflux

(2020) Julia Vergalli et al.   Communications Biology

Defining new chemical space for drug penetration into Gram-negative bacteria

(2020) Shibin Zhao et al.   Nature Chemical Biology

Development and optimization of a higher throughput bacterial compound accumulation assay

(2019) Marcella Widya et al.   ACS Infectious Diseases

Drug–Membrane Permeability across Chemical Space

(2019) Roberto Menichetti et al.   ACS Central Science

Antibiotic resistance in European wastewater treatment plants mirrors the pattern of clinical antibiotic resistance prevalence

(2019) Katariina M. M. Pärnänen et al.   Science Advances

Interplay between β-lactamases and new β-lactamase inhibitors

(2019) Karen Bush et al.   NATURE REVIEWS MICROBIOLOGY

Thinking Outside the Bug: Molecular Targets and Strategies to Overcome Antibiotic Resistance

(2019) Ana Monserrat-Martinez et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Cefiderocol: A Siderophore Cephalosporin with Activity Against Carbapenem-Resistant and Multidrug-Resistant Gram-Negative Bacilli

(2019) George G. Zhanel et al.   DRUGS

Inactivation of polymyxin by hydrolytic mechanism

(2019) Jianhua Yin et al.   ANTIMICROBIAL AGENTS AND CHEMOTHERAPY

Small-Molecule Permeation across Membrane Channels: Chemical Modification to Quantify Transport across OmpF

(2019) Jiajun Wang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Breaching the Barrier: Quantifying Antibiotic Permeability across Gram-negative Bacterial Membranes

(2019) Jehangir Cama et al.   JOURNAL OF MOLECULAR BIOLOGY

Definitions and guidelines for research on antibiotic persistence

(2019) Nathalie Q. Balaban et al.   NATURE REVIEWS MICROBIOLOGY

Role of AcrAB-TolC multidrug efflux pump in drug-resistance acquisition by plasmid transfer

(2019) Sophie Nolivos et al.   SCIENCE

Disseminating antibiotic resistance during treatment

(2019) Vanessa R. Povolo et al.   SCIENCE

Distinct Roles of Outer Membrane Porins in Antibiotic Resistance and Membrane Integrity in Escherichia coli

(2019) Umji Choi et al.   Frontiers in Microbiology

PNA Length Restriction of Antibacterial Activity of Peptide-PNA Conjugates in Escherichia coli Through Effects of the Inner Membrane

(2019) Lise Goltermann et al.   Frontiers in Microbiology

Resistance to critically important antimicrobials in Australian silver gulls (Chroicocephalus novaehollandiae) and evidence of anthropogenic origins

(2019) Shewli Mukerji et al.   JOURNAL OF ANTIMICROBIAL CHEMOTHERAPY

Analyzing Learned Molecular Representations for Property Prediction

(2019) Kevin Yang et al.   Journal of Chemical Information and Modeling

In situ structure and assembly of the multidrug efflux pump AcrAB-TolC

(2019) Xiaodong Shi et al.   Nature Communications

Bicyclic Boronate VNRX-5133 Inhibits Metallo- and Serine-β-Lactamases

(2019) Alen Krajnc et al.   JOURNAL OF MEDICINAL CHEMISTRY

Size Matters and How You Measure It: A Gram-Negative Antibacterial Example Exceeding Typical Molecular Weight Limits

(2019) Fiorella Ruggiu et al.   ACS Infectious Diseases

Sugar ligand-mediated drug delivery

(2019) Fang Chen et al.   Future Medicinal Chemistry

Antibiotic Uptake Across Gram-Negative Outer Membranes: Better Predictions Towards Better Antibiotics

(2019) Ricardo J. Ferreira et al.   ACS Infectious Diseases

Implementation of permeation rules leads to a FabI inhibitor with activity against Gram-negative pathogens

(2019) Erica N. Parker et al.   Nature Microbiology

Porins and small-molecule translocation across the outer membrane of Gram-negative bacteria

(2019) Julia Vergalli et al.   NATURE REVIEWS MICROBIOLOGY

Thinking outside the box - novel antibacterials to tackle the resistance crisis

(2018) Markus Lakemeyer et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The challenge of converting Gram-positive-only compounds into broad-spectrum antibiotics

(2018) Michelle F. Richter et al.   Annals of the New York Academy of Sciences

Probing transport of fosfomycin through substrate specific OprO and OprP from Pseudomonas aeruginosa

(2018) Funda Citak et al.   BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS

Enhanced oral absorption of pemetrexed by ion-pairing complex formation with deoxycholic acid derivative and multiple nanoemulsion formulations: preparation, characterization, and in vivo oral bioavailability and anticancer effect

(2018) Rudra Pangeni et al.   International Journal of Nanomedicine

Genomewide phenotypic analysis of growth, cell morphogenesis, and cell cycle events in Escherichia coli

(2018) Manuel Campos et al.   Molecular Systems Biology

Spectrofluorimetric quantification of antibiotic drug concentration in bacterial cells for the characterization of translocation across bacterial membranes

(2018) Julia Vergalli et al.   Nature Protocols

Hopanoid lipids: from membranes to plant–bacteria interactions

(2018) Brittany J. Belin et al.   NATURE REVIEWS MICROBIOLOGY

Multidrug efflux pumps: structure, function and regulation

(2018) Dijun Du et al.   NATURE REVIEWS MICROBIOLOGY

Overview of sulfonamide biodegradation and the relevant pathways and microorganisms

(2018) Jianfei Chen et al.   SCIENCE OF THE TOTAL ENVIRONMENT

Tetracycline-Inactivating Enzymes

(2018) Jana L. Markley et al.   Frontiers in Microbiology

Antibiotic Resistance Mediated by the MacB ABC Transporter Family: A Structural and Functional Perspective

(2018) Nicholas P. Greene et al.   Frontiers in Microbiology

The Fight Against Antimicrobial Resistance Is Confounded by a Global Increase in Antibiotic Usage

(2018) Mark A. T. Blaskovich   ACS Infectious Diseases

Molecular Properties That Define the Activities of Antibiotics in Escherichia coli and Pseudomonas aeruginosa

(2018) Sarah J. Cooper et al.   ACS Infectious Diseases

Getting drugs into Gram-negative bacteria: Rational rules for permeation through general porins

(2018) Silvia Acosta-Gutierrez et al.   ACS Infectious Diseases

In Vitro Model of the Gram-Negative Bacterial Cell Envelope for Investigation of Anti-Infective Permeation Kinetics

(2018) Florian Graef et al.   ACS Infectious Diseases

Molecular Probes for the Determination of Subcellular Compound Exposure Profiles in Gram-Negative Bacteria

(2018) Benjamin Spangler et al.   ACS Infectious Diseases

Mode of Action of the Monobactam LYS228 and Mechanisms Decreasing In Vitro Susceptibility in Escherichia coli and Klebsiella pneumoniae

(2018) Charles R. Dean et al.   ANTIMICROBIAL AGENTS AND CHEMOTHERAPY

Optimized arylomycins are a new class of Gram-negative antibiotics

(2018) Peter A. Smith et al.   NATURE

Molecular Dynamics Simulation for All

(2018) Scott A. Hollingsworth et al.   NEURON

Shared Platform for Antibiotic Research and Knowledge: A Collaborative Tool to SPARK Antibiotic Discovery

(2018) Joe Thomas et al.   ACS Infectious Diseases

Subcellular Quantification of Uptake in Gram-Negative Bacteria

(2018) Hans Prochnow et al.   ANALYTICAL CHEMISTRY

Fosfomycin Permeation through the Outer Membrane Porin OmpF

(2018) Vinaya Kumar Golla et al.   BIOPHYSICAL JOURNAL

Single-Dose Zoliflodacin (ETX0914) for Treatment of Urogenital Gonorrhea

(2018) Stephanie N. Taylor et al.   NEW ENGLAND JOURNAL OF MEDICINE

Predictive compound accumulation rules yield a broad-spectrum antibiotic

(2017) Michelle F. Richter et al.   NATURE

The Drug Repurposing Hub: a next-generation drug library and information resource

(2017) Steven M Corsello et al.   NATURE MEDICINE

Prediction of antibiotic resistance: time for a new preclinical paradigm?

(2017) Morten O. A. Sommer et al.   NATURE REVIEWS MICROBIOLOGY

Synergy between Active Efflux and Outer Membrane Diffusion Defines Rules of Antibiotic Permeation into Gram-Negative Bacteria

(2017) Ganesh Krishnamoorthy et al.   mBio

Gating of TonB-dependent transporters by substrate-specific forced remodelling

(2017) Samuel J. Hickman et al.   Nature Communications

Ascorbate-conjugated nanoparticles for promoted oral delivery of therapeutic drugs via sodium-dependent vitamin C transporter 1 (SVCT1)

(2017) Qiuhua Luo et al.   Artificial Cells Nanomedicine and Biotechnology

Whole-Cell-Based Assay To Evaluate Structure Permeation Relationships for Carbapenem Passage through the Pseudomonas aeruginosa Porin OprD

(2017) Ramkumar Iyer et al.   ACS Infectious Diseases

Mechanisms of envelope permeability and antibiotic influx and efflux in Gram-negative bacteria

(2017) Muriel Masi et al.   Nature Microbiology

Entropy and Polarity Control the Partition and Transportation of Drug-like Molecules in Biological Membrane

(2017) Qiang Zhu et al.   Scientific Reports

Nanomaterials and molecular transporters to overcome the bacterial envelope barrier: Towards advanced delivery of antibiotics

(2017) Rita S. Santos et al.   ADVANCED DRUG DELIVERY REVIEWS

Muraymycin nucleoside-peptide antibiotics: uridine-derived natural products as lead structures for the development of novel antibacterial agents

(2016) Daniel Wiegmann et al.   Beilstein Journal of Organic Chemistry

A Gestalt approach to Gram-negative entry

(2016) Lynn L. Silver   BIOORGANIC & MEDICINAL CHEMISTRY

Antisense antimicrobial therapeutics

(2016) Erin K Sully et al.   CURRENT OPINION IN MICROBIOLOGY

Multidrug efflux pumps of Gram-positive bacteria

(2016) Bryan D. Schindler et al.   DRUG RESISTANCE UPDATES

Antibiotics: from prehistory to the present day

(2016) Kate Gould   JOURNAL OF ANTIMICROBIAL CHEMOTHERAPY

Fosfomycin resistance inAcinetobacter baumanniiis mediated by efflux through a major facilitator superfamily (MFS) transporter—AbaF

(2016) Atin Sharma et al.   JOURNAL OF ANTIMICROBIAL CHEMOTHERAPY

The bacterial cell envelope as delimiter of anti-infective bioavailability – An in vitro permeation model of the Gram-negative bacterial inner membrane

(2016) Florian Graef et al.   JOURNAL OF CONTROLLED RELEASE

Antibacterial drug discovery in the resistance era

(2016) Eric D. Brown et al.   NATURE

Mechanisms of small molecule–DNA interactions probed by single-molecule force spectroscopy

(2016) Ali A. Almaqwashi et al.   NUCLEIC ACIDS RESEARCH

In silico pharmacology: Drug membrane partitioning and crossing

(2016) Florent Di Meo et al.   PHARMACOLOGICAL RESEARCH

Structural Insights into Outer Membrane Permeability of Acinetobacter baumannii

(2016) Michael Zahn et al.   STRUCTURE

Salmonella Rapidly Regulates Membrane Permeability To Survive Oxidative Stress

(2016) Joris van der Heijden et al.   mBio

Comparing structural fingerprints using a literature-based similarity benchmark

(2016) Noel M. O’Boyle et al.   Journal of Cheminformatics

Tetracycline Antibiotics and Resistance

(2016) Trudy H. Grossman   Cold Spring Harbor Perspectives in Medicine

Potential of Liposomes for Enhancement of Oral Drug Absorption

(2016) Marjan Daeihamed et al.   Current Drug Delivery

Reviving Antibiotics: Efflux Pump Inhibitors That Interact with AcrA, a Membrane Fusion Protein of the AcrAB-TolC Multidrug Efflux Pump

(2016) Narges Abdali et al.   ACS Infectious Diseases

Thinking Outside the “Bug”: A Unique Assay To Measure Intracellular Drug Penetration in Gram-Negative Bacteria

(2015) Ying Zhou et al.   ANALYTICAL CHEMISTRY

Molecular Simulations of Gram-Negative Bacterial Membranes: A Vignette of Some Recent Successes

(2015) Jamie Parkin et al.   BIOPHYSICAL JOURNAL

Liposomes as nanomedical devices

(2015) Giuseppina Bozzuto et al.   International Journal of Nanomedicine

How Beyond Rule of 5 Drugs and Clinical Candidates Bind to Their Targets

(2015) Bradley C. Doak et al.   JOURNAL OF MEDICINAL CHEMISTRY

Relation between chemotaxis and consumption of amino acids in bacteria

(2015) Yiling Yang et al.   MOLECULAR MICROBIOLOGY

ESKAPEing the labyrinth of antibacterial discovery

(2015) Ruben Tommasi et al.   NATURE REVIEWS DRUG DISCOVERY

In vitro transport activity of the fully assembled MexAB-OprM efflux pump from Pseudomonas aeruginosa

(2015) Alice Verchère et al.   Nature Communications

Genetic Resistance Determinants, In Vitro Time-Kill Curve Analysis and Pharmacodynamic Functions for the Novel Topoisomerase II Inhibitor ETX0914 (AZD0914) in Neisseria gonorrhoeae

(2015) Sunniva Foerster et al.   Frontiers in Microbiology

How Porin Heterogeneity and Trade-Offs Affect the Antibiotic Susceptibility of Gram-Negative Bacteria

(2015) Thomas Ferenci et al.   Genes

Permeability Barrier of Gram-Negative Cell Envelopes and Approaches To Bypass It

(2015) Helen I. Zgurskaya et al.   ACS Infectious Diseases

Inhibition of Klebsiella β-Lactamases (SHV-1 and KPC-2) by Avibactam: A Structural Study

(2015) Nikhil P. Krishnan et al.   PLoS One

Following Drug Uptake and Reactions inside Escherichia coli Cells by Raman Microspectroscopy

(2014) Hossein Heidari Torkabadi et al.   BIOCHEMISTRY

Tetracycline antibiotics and resistance mechanisms

(2014) Fabian Nguyen et al.   BIOLOGICAL CHEMISTRY

Multidrug efflux pumps in Gram-negative bacteria and their role in antibiotic resistance

(2014) Jessica MA Blair et al.   Future Microbiology

Trends and Exceptions of Physical Properties on Antibacterial Activity for Gram-Positive and Gram-Negative Pathogens

(2014) Dean G. Brown et al.   JOURNAL OF MEDICINAL CHEMISTRY

Clinical development success rates for investigational drugs

(2014) Michael Hay et al.   NATURE BIOTECHNOLOGY

Inhibition of JNK Aggravates the Recovery of Rat Hearts after Global Ischemia: The Role of Mitochondrial JNK

(2014) Sehwan Jang et al.   PLoS One

Role of Neisseria meningitidis PorA and PorB Expression in Antimicrobial Susceptibility

(2013) Ian R. Peak et al.   ANTIMICROBIAL AGENTS AND CHEMOTHERAPY

Functional Investigation of the MexA-MexB-OprM Efflux Pump of Pseudomonas Aeruginosa

(2013) Alice Verchère et al.   BIOPHYSICAL JOURNAL

Molecular Dynamics and NMR Spectroscopy Studies of E. coli Lipopolysaccharide Structure and Dynamics

(2013) Emilia L. Wu et al.   BIOPHYSICAL JOURNAL

Effect of Liposomes on the Absorption of Water-soluble Active Pharmaceutical Ingredients via Oral Administration

(2013) Zhijun Yang et al.   CURRENT PHARMACEUTICAL DESIGN

Expanding the scaffold for bacterial RNA polymerase inhibitors: design, synthesis and structure–activity relationships of ureido-heterocyclic-carboxylic acids

(2013) Walid A. M. Elgaher et al.   RSC Advances

Quorum sensing inhibitors: An overview

(2012) Vipin Chandra Kalia   BIOTECHNOLOGY ADVANCES

Adaptive and Mutational Resistance: Role of Porins and Efflux Pumps in Drug Resistance

(2012) L. Fernandez et al.   CLINICAL MICROBIOLOGY REVIEWS

Alternative folding pathways of the major porin OprF of Pseudomonas aeruginosa

(2012) Etsuko Sugawara et al.   FEBS Journal

Structure and function of OprD protein in Pseudomonas aeruginosa: From antibiotic resistance to novel therapies

(2012) Hui Li et al.   INTERNATIONAL JOURNAL OF MEDICAL MICROBIOLOGY

OmpA Is the Principal Nonspecific Slow Porin of Acinetobacter baumannii

(2012) E. Sugawara et al.   JOURNAL OF BACTERIOLOGY

Zwitterions Can Be Predominant in Membrane Penetration of Drugs: Experimental Proof

(2012) Károly Mazák et al.   JOURNAL OF MEDICINAL CHEMISTRY

Structural Modifications that Alter the P-Glycoprotein Efflux Properties of Compounds

(2012) Stephen A. Hitchcock   JOURNAL OF MEDICINAL CHEMISTRY

Avibactam is a covalent, reversible, non- -lactam  -lactamase inhibitor

(2012) D. E. Ehmann et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Systemic Absorption of Rifamycin SV MMX Administered as Modified-Release Tablets in Healthy Volunteers

(2011) A. F. D. Di Stefano et al.   ANTIMICROBIAL AGENTS AND CHEMOTHERAPY

Food-Grade Nanoemulsions: Formulation, Fabrication, Properties, Performance, Biological Fate, and Potential Toxicity

(2011) David Julian McClements et al.   CRITICAL REVIEWS IN FOOD SCIENCE AND NUTRITION

Electroporation of the E. coli and S. Aureus Membranes: Molecular Dynamics Simulations of Complex Bacterial Membranes

(2011) Thomas J. Piggot et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Umbrella sampling

(2011) Johannes Kästner   Wiley Interdisciplinary Reviews-Computational Molecular Science

Sap Transporter Mediated Import and Subsequent Degradation of Antimicrobial Peptides in Haemophilus

(2011) Catherine L. Shelton et al.   PLoS Pathogens

Mechanism and Function of the Outer Membrane Channel TolC in Multidrug Resistance and Physiology of Enterobacteria

(2011) Helen I. Zgurskaya et al.   Frontiers in Microbiology

TonB-Dependent Transporters: Regulation, Structure, and Function

(2010) Nicholas Noinaj et al.   Annual Review of Microbiology

Efflux-Mediated Antibiotic Resistance inAcinetobacterspp.

(2010) Sébastien Coyne et al.   ANTIMICROBIAL AGENTS AND CHEMOTHERAPY

Aminoglycoside modifying enzymes

(2010) Maria S. Ramirez et al.   DRUG RESISTANCE UPDATES

Extended-Connectivity Fingerprints

(2010) David Rogers et al.   Journal of Chemical Information and Modeling

Structure of P-Glycoprotein Reveals a Molecular Basis for Poly-Specific Drug Binding

(2009) S. G. Aller et al.   SCIENCE

Antibiotics for Emerging Pathogens

(2009) M. A. Fischbach et al.   SCIENCE

Brominated Furanones Inhibit Biofilm Formation by Salmonella enterica Serovar Typhimurium

(2008) J. C. A. Janssens et al.   APPLIED AND ENVIRONMENTAL MICROBIOLOGY

Distribution of Amino Acids in a Lipid Bilayer from Computer Simulations

(2008) Justin L. MacCallum et al.   BIOPHYSICAL JOURNAL

Molecular Characteristics for Solid-State Limited Solubility

(2008) Carola M. Wassvik et al.   JOURNAL OF MEDICINAL CHEMISTRY

Physicochemical Properties of Antibacterial Compounds: Implications for Drug Discovery

(2008) Rosemarie O’Shea et al.   JOURNAL OF MEDICINAL CHEMISTRY

Role of the MexXY multidrug efflux pump in moderate aminoglycoside resistance inPseudomonas aeruginosaisolates fromPseudomonasmastitis

(2008) Rungtip Chuanchuen et al.   MICROBIOLOGY AND IMMUNOLOGY

Structure, function and regulation of P-glycoprotein and its clinical relevance in drug disposition

(2008) S.-F. Zhou   XENOBIOTICA

A mechanistical model for the uptake of sulfonamides by bacteria

(2007) Christiane Zarfl et al.   CHEMOSPHERE