Publications by Jean-Louis Reymond

Alchemical analysis of FDA approved drugs

Jean-Louis Reymond, Philippe Schwaller, Markus Orsi, Daniel Probst

Chemical space maps help visualize similarities within molecular sets. However, there are many different molecular similarity measures resulting in a confusing number of possible comparisons. To overcome this limitation, we exploit the fact that tools desi ...

2023

Anti-microbial dendrimers against multidrug-resistant P. aeruginosa enhance the angiogenic effect of biological burn-wound bandages

Dominique Pioletti, Jean-Louis Reymond, Philippe Abdel Sayed, Lee Ann Laurent-Applegate, Paris Jafari

Multi-drug resistant Pseudomonas aeruginosa has increased progressively and impedes further regression in mortality in burn patients. Such wound infections serve as bacterial reservoir for nosocomial infections and are associated with signi cant morbidity ...

Nature Research2016

Discovery of a Selective Aurora A Kinase Inhibitor by Virtual Screening

Jean-Louis Reymond, Pierre Gönczy, Sachin Kotak, Maria Josefina Marcaida Lopez

Here we report the discovery of a selective inhibitor of Aurora A, a key regulator of cell division and potential anticancer target. We used the atom category extended ligand overlap score (xLOS), a 3D ligand-based virtual screening method recently develop ...

2016

PDB-Explorer: a web-based interactive map of the protein data bank in shape space

Jean-Louis Reymond, Luc Patiny, Daniel Kostro, Michaël Giuseppe Zasso

Background: The RCSB Protein Data Bank (PDB) provides public access to experimentally determined 3D-structures of biological macromolecules (proteins, peptides and nucleic acids). While various tools are available to explore the PDB, options to access the ...

Biomed Central Ltd2015

Bridged bicyclic peptides as potential drug scaffolds: synthesis, structure, protein binding and stability

Jean-Louis Reymond

Double cyclization of short linear peptides obtained by solid phase peptide synthesis was used to prepare bridged bicyclic peptides (BBPs) corresponding to the topology of bridged bicyclic alkanes such as norbornane. Diastereomeric norbornapeptides were in ...

Royal Soc Chemistry2015

MQN-Mapplet: Visualization of Chemical Space with Interactive Maps of Drug Bank, ChEMBL, Pub Chem, GDB-11, and GDB-13

Jean-Louis Reymond

The MQN-mapplet is a Java application giving access to the structure of small molecules in large databases via color-coded maps of their chemical space. These maps are projections from a 42-dimensional property space defined by 42 integer value descriptors ...

Amer Chemical Soc2013

Enumeration of 166 Billion Organic Small Molecules in the Chemical Universe Database GDB-17

Jean-Louis Reymond

Drug, molecules consist of a few tens of atoms connected by covalent bonds. Haw many such molecules are possible in total and what is their structure? This question is of pressing interest in: medicinal. chemistry to help solve the problems of drug potency ...

American Chemical Society2012

Exploring the Chemical Space of Known and Unknown Organic Small Molecules at www.gdb.unibe.ch

Jean-Louis Reymond

Organic small molecules are of particular interest for medicinal chemistry since they comprise many biologically active compounds which are potential drugs. To understand this vast chemical space, we are enumerating all possible organic molecules to create ...

2011

Synthesis of glycopeptide dendrimers, dimerization and affinity for Concanavalin A

Jean-Louis Reymond, Ronan Euzen

We described herein the synthesis of second generation glycopeptide dendrimers G2a-g presenting variable amino acids placed internally into the multivalent scaffold. The effect of such structural modulation on recognition processes by Concanavalin A (Con A ...

Elsevier2011