Reymond Research Group (Page 7)

Synthesis of Lipid-Linked Oligosaccharides (LLOs) and Their Phosphonate Analogues as Probes To Study Protein Glycosylation Enzymes

Synthesis of Lipid-Linked Oligosaccharides (LLOs) and Their Phosphonate Analogues as Probes To Study Protein Glycosylation Enzymes

The review Synthesis of Lipid-Linked Oligosaccharides (LLOs) and Their Phosphonate Analogues as Probes To Study Protein Glycosylation Enzymes has been published by Synthesis. Abstract Here we review chemical and chemoenzymatic methods for the synthesis of lipid-linked oligosaccharides (LLOs) and their phosphonate analogues, which serve as substrates and inhibitors to investigate

Optimizing Antimicrobial Peptide Dendrimers in Chemical Space

Optimizing Antimicrobial Peptide Dendrimers in Chemical Space

The paper Optimizing Antimicrobial Peptide Dendrimers in Chemical Space has been published by Angewandte Chemie. Abstract Here we used nearest neighbor searches in chemical space to improve the activity of antimicrobial peptide dendrimer (AMPD) G3KL and identified dendrimer T7 with an expanded activity range against Gram‐negative pathogenic bacteria including

Identification of potent and selective small molecule inhibitors of the cation channel TRPM4

Identification of potent and selective small molecule inhibitors of the cation channel TRPM4

The paper Identification of potent and selective small molecule inhibitors of the cation channel TRPM4 has been published by the British Journal of Pharmacology. Abstract Background and Purpose TRPM4 is a calcium‐activated non‐selective cation channel expressed in many tissues and implicated in several diseases, and has not yet

An Antimicrobial Bicyclic Peptide from Chemical Space Against Multidrug Resistant Gram-Negative Bacteria

An Antimicrobial Bicyclic Peptide from Chemical Space Against Multidrug Resistant Gram-Negative Bacteria

The paper An Antimicrobial Bicyclic Peptide from Chemical Space Against Multidrug Resistant Gram-Negative Bacteria has been accepted for publication by Chemical Communications. We used the concept of chemical space to explore a virtual library of bicyclic peptides formed by double thioether cyclization of a precursor linear peptide, and identified an

Deep Learning Invades Drug Design and Synthesis

Deep Learning Invades Drug Design and Synthesis

The commentary Deep Learning Invades Drug Design and Synthesis has been published by Chimia. Discovering a new drug goes asfollows: given a medical need, identify the underlying biological mechanism, and design a molecule acting via this mechanism to produce the desired effects. This sounds simple, but in truth it’s

Structural basis of the molecular ruler mechanism of a bacterial glycosyltransferase

Structural basis of the molecular ruler mechanism of a bacterial glycosyltransferase

The paper Structural basis of the molecular ruler mechanism of a bacterial glycosyltransferase has been published by Nature Communications. The membrane-associated, processive and retaining glycosyltransferase PglH from Campylobacter jejuni is part of the biosynthetic pathway of the lipid-linked oligosaccharide (LLO) that serves as the glycan donor in bacterial protein N-glycosylation.

SmilesDrawer: parsing and drawing SMILES-encoded molecular structures using client-side JavaScript

SmilesDrawer: parsing and drawing SMILES-encoded molecular structures using client-side JavaScript

The paper SmilesDrawer: parsing and drawing SMILES-encoded molecular structures using client-side JavaScript has been accepted by the Journal of Chemical Information and Modeling. Here we present SmilesDrawer, a dependency-free JavaScript component capable of both parsing and drawing SMILES-encoded molecular structures client-side, developed to be easily integrated into web projects and

Lipidated Peptide Dendrimers Killing Multidrug Resistant Bacteria

Lipidated Peptide Dendrimers Killing Multidrug Resistant Bacteria

The paper Lipidated Peptide Dendrimers Killing Multidrug Resistant Bacteria has been accepted by the Journal of the American Chemical Society. New antibiotics are urgently needed to address multidrug resistant (MDR) bacteria. Herein we report that second generation (G2) peptide dendrimers bearing a fatty acid chain at the dendrimer core efficiently

FUn: A Framework for Interactive Visualizations of Large, High Dimensional Datasets on the Web

FUn: A Framework for Interactive Visualizations of Large, High Dimensional Datasets on the Web

The paper FUn: A Framework for Interactive Visualizations of Large, High Dimensional Datasets on the Web has been accepted for publication by Bioinformatics. Motivation During the past decade, big data has become a major tool in scientific endeavors. While statistical methods and algorithms are well-suited for analyzing and summarizing enormous

Congratulations Josep!

Congratulations Josep!

Josep Arús-Pous has received the prize for best poster presentation at the GCC (German Conference on Chemoinformatics 2017) in Mainz on November 7th for his poster "Exploring Chemical Space beyond GDB17". Congratulations to Josep!

Two PhD Student Positions

Two PhD Student Positions

There are currently three PhD positions open in our group. You can find details here.

Chemical Space: Big Data Challenge for Molecular Diversity

Chemical Space: Big Data Challenge for Molecular Diversity

The paper Chemical Space: Big Data Challenge for Molecular Diversity has been published by Chimia. Chemical space describes all possible molecules as well as multi-dimensional conceptual spaces representing the structural diversity of these molecules. Part of this chemical space is available in public databases ranging from thousands to billions of

Molecular basis of lipid-linked oligosaccharide recognition and processing by bacterial oligosaccharyltransferase

Molecular basis of lipid-linked oligosaccharide recognition and processing by bacterial oligosaccharyltransferase

The paper Molecular basis of lipid-linked oligosaccharide recognition and processing by bacterial oligosaccharyltransferase has been published by Nature Structural and Molecular Biology. Oligosaccharyltransferase (OST) is a membrane-integral enzyme that catalyzes the transfer of glycans from lipid-linked oligosaccharides (LLOs) onto asparagine side chains, the first step in protein N-glycosylation. Here, we

Virtual Exploration of the Ring Systems Chemical Universe

Virtual Exploration of the Ring Systems Chemical Universe

The paper Virtual Exploration of the Ring Systems Chemical Universe has been accepted for publication by the Journal of Chemical Information and Modeling. Here we explore the chemical space of all virtually possible organic molecules focusing on ring systems, which represent the cyclic cores of organic molecules obtained by removing

Conference Report: Frontiers in Medicinal Chemistry 2017 in Bern

Conference Report: Frontiers in Medicinal Chemistry 2017 in Bern

The article Frontiers in Medicinal Chemistry 2017 in Bern, Switzerland has been published in ChemMedChem. The 2017 Frontiers in Medicinal Chemistry (FiMC) conference, organized jointly by the German Chemical Society (GDCh; Karl-Heinz Baringhaus), the German Pharmaceutical Society (DPhG; Christa E. Müller), and the Division of Medicinal Chemistry and Chemical Biology

Journal Cover: Chemical space guided discovery of antimicrobial bridged bicyclic peptides against Pseudomonas aeruginosa and its biofilms

Journal Cover: Chemical space guided discovery of antimicrobial bridged bicyclic peptides against Pseudomonas aeruginosa and its biofilms

Our paper Chemical space guided discovery of antimicrobial bridged bicyclic peptides against Pseudomonas aeruginosa and its biofilms has been chosen to be featured on the cover of the October issue of Chemical Science. The paper is available here.

The drug-maker's guide to the galaxy

The drug-maker's guide to the galaxy

How machine learning and big data are helping chemists search the vast chemical universe for better medicines. An interview with Prof. Jean-Louis Reymond has been featured in a recent news item on nature.com.

Design, crystal structure and AFM study of thioether ligated D,L-cyclic antimicrobial peptides against multidrug resistant Pseudomonas aeruginosa

Design, crystal structure and AFM study of thioether ligated D,L-cyclic antimicrobial peptides against multidrug resistant Pseudomonas aeruginosa

The paper Design, crystal structure and atomic force microscopy study of thioether ligated D,L-cyclic antimicrobial peptides against multidrug resistant Pseudomonas aeruginosa has been accepted for publication by Chemical Science. Here we report a new family of cyclic antimicrobial peptides (CAMPs) targeting MDR strains of Pseudomonas aeruginosa. These CAMPs are

Plotting a course to new antibiotics: Mapping out the chemical space of peptide antibiotics offers an efficient way to find new compounds

Plotting a course to new antibiotics: Mapping out the chemical space of peptide antibiotics offers an efficient way to find new compounds

A news article on the groups recent paper Chemical space guided discovery of antimicrobial bridged bicyclic peptides against Pseudomonas aeruginosa and its biofilms has been published by the monthly chemistry news magazine Chemistry World, which in turn is published by the Royal Society of Chemistry. The article, written by Alexander

Chemical Space Guided Discovery of Antimicrobial Bridged Bicyclic Peptides Against Pseudomonas aeruginosa and its Biofilms

Chemical Space Guided Discovery of Antimicrobial Bridged Bicyclic Peptides Against Pseudomonas aeruginosa and its Biofilms

The paper Chemical Space Guided Discovery of Antimicrobial Bridged Bicyclic Peptides Against Pseudomonas aeruginosa and its Biofilms has been accepted for publication by Chemical Sciences. Herein we report the discovery of antimicrobial bridged bicyclic peptides (AMBPs) active against Pseudomonas aeruginosa, a highly problematic Gram negative bacterium in the hospital environment.

Chemo-enzymatic synthesis of lipid-linked GlcNAc2Man5 oligosaccharides using recombinant Alg1, Alg2 and Alg11 proteins

Chemo-enzymatic synthesis of lipid-linked GlcNAc2Man5 oligosaccharides using recombinant Alg1, Alg2 and Alg11 proteins

The paper Chemo-enzymatic synthesis of lipid-linked GlcNAc2Man5 oligosaccharides using recombinant Alg1, Alg2 and Alg11 proteins has been accepted for publication by Glycobiology. The biosynthesis of eukaryotic lipid-linked oligosaccharides (LLOs) that act as donor substrates in eukaryotic protein N-glycosylation starts on the cytoplasmic side of the endoplasmic reticulum and includes the

Peptide Dendrimer–Lipid Conjugates as DNA and siRNA Transfection Reagents: Role of Charge Distribution Across Generations

Peptide Dendrimer–Lipid Conjugates as DNA and siRNA Transfection Reagents: Role of Charge Distribution Across Generations

The paper Peptide Dendrimer–Lipid Conjugates as DNA and siRNA Transfection Reagents: Role of Charge Distribution Across Generations is now published in the journal Chimia. Transfection reagents are used to deliver DNA and siRNA into cells to achieve genetic manipulations, and may ultimately enable nonviral gene therapy. Progress in transfection

Fragment Database FDB-17

Fragment Database FDB-17

The paper Fragment Database FDB-17 has been accepted for publication in the Journal of Chemical Information and Modeling. To better understand chemical space we recently enumerated the database GDB-17 containing 166.4 billion possible molecules up to 17 atoms of C, N, O, S and halogen following simple rules of

WebMolCS: a Web-Based Interface for Visualizing Molecules in 3D Chemical Spaces

WebMolCS: a Web-Based Interface for Visualizing Molecules in 3D Chemical Spaces

The paper WebMolCS: a Web-Based Interface for Visualizing Molecules in 3D Chemical Spaces has been accepted for publication in the Journal of Chemical Information and Modeling. The concept of chemical space provides a convenient framework to analyze large collections of molecules by placing them in property spaces where distances represent

Characterization of the single-subunit oligosaccharyltransferase STT3A from Trypanosoma brucei using synthetic peptides and ...

Characterization of the single-subunit oligosaccharyltransferase STT3A from Trypanosoma brucei using synthetic peptides and ...

The paper Characterization of the single-subunit oligosaccharyltransferase STT3A from Trypanosoma brucei using synthetic peptides and lipid-linked oligosaccharide analogs has been published in the journal Glycobiology. The initial transfer of a complex glycan in protein N-glycosylation is catalyzed by oligosaccharyltransferase (OST), which is generally a multi-subunit membrane protein complex in the