Author

Andrea Mattevi

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Open access Sep 2026

AI-enhanced adaptive virtual screening of large libraries for ligand discovery.

AdaptiveFlow enables drug discovery at unprecedented scale and supports the development of AI-driven methods, and identifies nanomolar inhibitors of two disease-relevant targets, ferroptosis suppressor protein 1 and poly(ADP-ribose) polymerase 1.

Domiziana Cecchini, AkshatKumar Nigam, Ming Tang et al. · Nature Biotechnology · 1 citation

Open access Aug 2026

Evolution of human IL4I1 preference for aromatic amino acids from a broad-specificity L-amino acid oxidase ancestor.

The findings demonstrate that the functional divergence between human IL4I1 and venomous snake LAAOs is underpinned by evolutionary shifts in substrate specificity and catalytic efficiency.

Marta Massari, Jonatan Caroli, Marco Malatesta et al. · Proceedings of the National... · 0 citations

Open access Aug 2026

Molecular Striptease of a Thiadiazolopyrimidine Hit Yields a Streamlined, Artifact-Free NADPH Mimic for NOX Inhibition

Compound 5, although aqueous solubility issues limited its cellular antiproliferative performance, represents a specific, artifact-free architectural starting point for future selective NOX inhibitor development.

Emanuele Fabbrizi, Andrea Mancini, Chiara Lambona et al. · ACS Medicinal Chemistry Lett... · 0 citations