Author

A. Hirsch

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Open access Oct 2026

Prospective discovery of LasB inhibitors by integrating generative design, free energy ranking, and experimental validation

Identifying synthetically accessible, potent ligands from vast chemical space remains a major challenge in drug discovery, particularly because experimental synthesis and testing are costly and low throughput. Here, we present a fully open-source computational–experimental workflow that integrates fragment-based de nov...

Alejandro Martínez León, Angeliki Vgenopoulou, Gwenaëlle Jézéquel et al. · bioRxiv · 0 citations

Open access Oct 2026

Design, Synthesis, and Preliminary Investigation on the Mode of Action for a Series of Novel Antimicrobial Peptidomimetics

Over the years, many antibiotics have been developed, but most have become less effective due to antimicrobial resistance, especially those targeting enzymatic pathways. This growing resistance poses a serious global health threat. It is now recognized that physically disrupting bacterial cell membranes is less prone...

Diletta Bergamo, Katarina Cirnski, Mathias Müsken et al. · Journal of Medicinal Chemist... · 0 citations