Check out our latest paper Diamonds in Chemical Space: The Synthesis of Brexazine in Helvetica! Abstract Here we searched chemical space for small and novel diamond-like, 3D-shaped building blocks, which are very rare but highly valuable for medicinal chemistry because they can increase the natural product likeness of drug molecules

Check out the latest paper of the Luciani group in collaboration with our group Leveraging Machine Learning to Streamline the Development of Liposomal Drug Delivery Systems  in the Journal of Controlled Release! Abstract Drug delivery systems efficiently and safely administer therapeutic agents to specific body sites. Liposomes, spherical vesicles made

Check out our latest review Chemical Space for Peptide-based Antimicrobials in CHIMIA! Abstract Multidrug-resistant (MDR) bacteria represent a global public health threat, and antimicrobial peptides (AMPs), derived from naturally occurring linear or cyclic peptides, can provide the solution. However, most AMPs are sensitive to proteases and have poor pharmacokinetics. The

Check out our latest paper Stereorandomized Oncocins with Preserved Ribosome Binding andAntibacterial Activity in Journal of Medicinal Chemistry! Abstract We recently showed that solid-phase peptidesynthesis using racemic amino acids yields stereorandomizedpeptides comprising all possible diastereomers as homogeneous,single-mass products that can be purified by HPLC and thatstereorandomization modulates activity, toxicity,

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 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