Reymond Research Group

Check out our latest paper Navigating a 1E+60 Chemical Space of Peptide/Peptoid Oligomers in the special issue on Exploration of (Ultra)Big Chemical Spaces in Molecular Informatics Wiley! In this work, we present an update to the Peptide Design Genetic Algorithm (PDGA) and demonstrate its ability to efficiently

Check out our latest paper Chemoenzymatic Multistep Retrosynthesis with Transformer Loops in RSC Chemical Science! In this study, we developed the triple-transformer loop algorithm with biocatalysis (TTLAB) as a new tool for computer-aided synthesis planning (CASP). TTLAB integrates chemical reactions and biocatalysis to perform single-step retrosynthesis and propose efficient multistep

Check out our latest paper Peptide Dendrimers Transfecting CRISPR/Cas9 Plasmid DNA: Optimization and Mechanism in RSC Chemical Biology! We optimize a peptide dendrimer transfection reagent to deliver a large CRISPR/Cas9 plasmid DNA into cells, elucidate its delivery mechanism, and demonstrate its gene editing efficiency. Abstract Gene editing by

Check out our latest paper One Chiral Fingerprint to Find Them All in Journal of Cheminformatics! Abstract Molecular fingerprints are indispensable tools in cheminformatics. However, stereochemistry is generally not considered, which is problematic for large molecules which are almost all chiral. Herein we report MAP4C, a chiral version of our

Check out our latest paper Can Large Language Models Predict Antimicrobial Peptide Activity and Toxicity? in RSC Medicinal Chemistry! Abstract Antimicrobial peptides (AMPs) are naturally occurring or designed peptides up to a few tens of amino acids which may help address the antimicrobial resistance crisis. However, their clinical development is

Check out the latest paper of the von Ballmoos group in collaboration with our group Overcoming Protein Orientation Mismatch Enables Efficient Nanoscale Light-Driven ATP Production in ACS Synthetic Biology! Abstract Adenosine triphosphate (ATP)-producing modules energized by light-driven proton pumps are powerful tools for the bottom-up assembly of artificial cell-like

Check out our latest paper Submonomer synthesis of inverse polyamidoamine (i-PAMAM) dendrimer antibacterials in Helvetica Chimica Acta! Abstract Herein we report that the submonomer method for peptoid synthesis enables access to pure i-PAMAM dendrimers up to 16 amino termini by a divergent solid-phase synthesis using the inexpensive bis(3-trifluoroacetamidopropyl)amine

The Reymond Research Group would like to welcome its new group members: Austia Puckett (Master Student) Robin Knüsel (Master Student) Giulia Baldoni (Ph.D. Student)

The Reymond group wishes you a Merry Christmas and a Happy New Year 2024!

Check out our latest paper Antimicrobial Peptide–Peptoid Hybrids with and without Membrane Disruption in ACS Infectious Diseases! Abstract Among synthetic analogues of antimicrobial peptides (AMPs) under investigation to address antimicrobial resistance, peptoids (N-alkylated oligoglycines) have been reported to act both by membrane disruption and on intracellular targets. Here we

Our paper Expanding Bioactive Fragment Space with the Generated Database GDB-13s (Ye Buehler and Jean-Louis Reymond, J. Chem. Inf. Model. 2023, 63, 20, 6239–6248, doi.org/10.1021/acs.jcim.3c01096) has been chosen to be featured on the cover of the October issue of Journal of Chemical Information

Our paper Alchemical Analysis of FDA Approved Drugs (Markus Orsi, Daniel Probst, Philippe Schwaller and Jean-Louis Reymond, Digital Discovery, 2023,2, 1289-1296, https://doi.org/10.1039/D3DD00039G) has been chosen to be featured on the cover of the October issue of Journal of Digital Discovery. Abstract Chemical space maps

Check out our latest paper Optimizing phosphate couplings for dolichyl diphosphochitobiose to enable protein N-glycosylation studies in HELVETICA! Abstract Herein we report an optimized synthesis for dolichyl diphosphochitobiose (GlcNAc2-PP-Dol25), a probe useful for biochemical and structural studies ofprotein N-glycosylation in eukaryotic cells. We improved three phosphate coupling steps in terms

The Reymond Research Group would like to welcome its new group member: Xiaoling Hu (Ph.D. Student).

Check out our latest paper Expanding Bioactive Fragment Space with the Generated Database GDB-13s in JCIM! Abstract Identifying innovative fragments for drug design can help medicinal chemistry address new targets and overcome the limitations of the classical molecular series. By deconstructing molecules into ring fragments (RFs, consisting of ring atoms

The 1st Year Graduate Student Symposium 2023 successfully took place on September 13-14 at DCBP, University of Bern. Congratulations to all presenters, especially the ones from our group: Samuel Yasmin, Başak Olcay, and Jèrémie Reusser. Thanks to all for the great presentations! In particular, BIG Congrats to Jèrémie for winning

Check out our latest paper Exploring the Sequence Space of Antimicrobial Peptide Dendrimers in Israel Journal of Chemistry! Abstract There is an urgent need to develop new antibacterial agents against multidrug resistant bacteria. Herein we report our investigation of antimicrobial peptide dendrimers (AMPDs) active against Gram-negative bacteria, whose sequences were

Check out our latest paper Multistep retrosynthesis combining a disconnection aware triple transformer loop with a route penalty score guided tree search in Chemical Science! Abstract Computer-aided synthesis planning (CASP) aims to automatically learn organic reactivity from literature and perform retrosynthesis of unseen molecules. CASP systems must learn reactions sufficiently

Check out our latest paper Alchemical analysis of FDA approved drugs in Digital Discovery! Abstract 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

RDKit is an important Open-Source Cheminformatics and Machine Learning tool that has been frequently used in the cheminformatics field. This year's RDKit User Group Meeting will take place from 20-22 September in-person in Mainz, Germany. The meeting will livestream the presentations for people who can only attend remotely.

The SCS Fall Meeting 2023 will take place on 24-25th of August at University of Bern! The SCS Fall Meeting is the major regularly organized event of the Swiss Chemical Society and one of the largest annual research conferences in Switzerland. For decades, the SCS Fall Meeting has been a

Check out our latest paper To Fold or Not to Fold: Diastereomeric Optimization of an α-Helical Antimicrobial Peptide in Journal of Medicinal Chemistry! Abstract Membrane disruptive α-helical antimicrobial peptides (AMPs) offer an opportunity to address multidrug resistance; however, most AMPs are toxic and unstable in serum. These limitations can be

The Reymond Research Group would like to welcome its new group member: Leon Rebhan (Ph.D. Student).

Check out our latest paper Inverse Polyamidoamine (i-PAMAM) Dendrimer Antimicrobials in Helvetica Chimica Acta by Etienne Bonvin! We redesigned polyamidoamine dendrimers by moving the carbonyl across the amide nitrogen to form inverse PAMAMs. Our i-PAMAMs are pure by HPLC, stable, and show potent antibacterial effects. https://doi.org/10.1002/

Reymond Group Networking Symposium took place successfully on Friday, March 24th! We are happy to see everyone, including some of our former group members in this great group reunion!