Discovery of compounds with adaptive geometry: advancements in carbonic anhydrase inhibitors

Researchers led by Raivis Žalubovskis (Applied Chemistry Group, LIOS) for the first time have reported a series of sulfonamide derivatives with scaffolds bearing flexible moieties capable of adapting their geometry in the active center of enzymes. These compounds have demonstrated effectiveness and selectivity as inhibitors of carbonic anhydrase (CAs, EC enzymes. The research is published in the Journal of Medicinal Chemistry (IF=8.039).

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Ivanova, J., Nocentini, A., Tars, K., Leitāns, J., Dvinskis, E., Kazaks, A., Domračeva, I., Supuran, C.T., Žalubovskis, R.*
Atropo/Tropo Flexibility: A Tool for Design and Synthesis of Self-Adaptable Inhibitors of Carbonic Anhydrases and Their Antiproliferative Effect.
J. Med. Chem. 2023, 66, 8, 5703–5718. DOI: 10.1021/acs.jmedchem.3c00007