Life Sciences and cultural heritage Figure 1. Graphical description of experimental strategies employed in the research. The focus of the research, SARS-CoV-2 3CLpro, and the results, the effect of inhibition upon halicin treatment on 3CLpro dimerization, have been highlighted. I. Iacobucci1, I. Cipollone1, F. Cozzolino1, D. Iaconis2, C. Talarico2, G. Coppola3 S. Morasso4, E. Costanzi4, P. Malune5, P. Storici4, E. Tramontano5, F. Esposito5 M. Monti1 1 Department of Chemical Sciences, University of Naples “Federico II”, Via Cintia, 21, 80126 and CEINGE Advanced Biotechnologies s.c.a r.l. “Franco Salvatore”, Via G. Salvatore 486, 80131 Napoli Italy 2 Dompè Farmaceutici SpA, EXSCALATE, Via T. De Amicis, 95, I-80131 Napoli, Italy 3 Institute Experimental Endocrinology and Oncology “Gaetano Salvatore” (IEOS), National Research Council (CNR), 80145 Naples, Italy 4 Elettra Sincrotrone Trieste, Structural Biology, Protein Targets for Drug Discovery Lab, SS 14 - km 163,5 in AREA Science Pack, Basovizza, 34149 Trieste, Italy 5 Department of Life and Environmental Sciences, University of Cagliari, S.P. 8 Monserrato, Sestu Km0.700, I-09042 Monserrato, Italy e-mail: montimar@unina.it Acknowledgments - “CEINGE Task Force 2022 COVID-19,” fulfilment of research services for the fight against COVID-19 by Regione Campania (DGR n. 504 del 10/11/2021), CUP n. D63C22000570002, - European Union's Horizon 2020 - Research and Innovation Framework Programme (grant agreement number 101003551, Exscalate4CoV), - Horizon Europe Framework Programme (grant agreement number 101137192, AVITHRAPID). Original paper Iacobucci I., et al, Int J Biol Macromol. 295:139590. DOI: 10.1016/ j.ijbiomac.2025.139590 m/z 0 20 40 60 80 100 Intensity 200 400 600 800 1000 Fluorescence Protease concentration No inhibitor Inhibitor [low] Inhibitor [high] Mass mapping University of Naples Federico II Ceinge Advanced Biotechnology Franco Salvatore In silico prediction Dompé Farmaceutici S.p.A. Co-crystal structure determination Elettra Sincrotrone Trieste SCpA Enzimatic activity assay University of Cagliari Characterization of covalent inhibition of 3Clpro by halicin SARS-CoV-2 Shifted equilibrium from the dimeric to the monomeric form Halicin Halicin Fig. 1 Elettra Highlights 2024–2025 59
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