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Sponsored Artificial Intelligence: A Modern Approach, Global Edition Artificial Intelligence: A Modern Approach, Global Edition

Author

Paolo Malune

h-index 5 View on Semantic Scholar

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Oct 2026

Dual inhibitors of SARS-CoV-2 Nsp13 helicase functions with broad anti-hCoV activity and combination effects with approved antivirals.

The SARS-CoV-2 non-structural protein 13 (nsp13) is a highly conserved helicase essential for viral replication and immune evasion. Its conservation across coronaviruses makes it an attractive target for the development of broad-spectrum antiviral agents. Hence, we rationally designed and synthesised 42 novel 2-iminoth...

Erica Sanna, A. Corona, S. Distinto et al. · 0 citations
Open access Sep 2026

A combination of MD-derived pharmacophores and structure-based strategy identifies dual allosteric inhibitors of NS2B-NS3 proteases in Zika and West Nile viruses.

This integrated computer-aided drug design (CADD) strategy demonstrates the power of dynamic, structure-based pharmacophores to uncover novel allosteric inhibitors and accelerate antiviral drug repurposing.

A. Lupia, Salvatore Nieddu, Laura Demuru et al. · 0 citations
Open access Aug 2026

Exploring the Pyrimidine Scaffold for the Development of SARS-CoV-2 Mpro Inhibitors.

New SARS-CoV-2 Mpro small-molecule inhibitors endowed with a pyrimidine scaffold are designed and synthesized and the mechanism of action of the most promising compound was elucidated.

Salvatore Nieddu, Giuseppe Ruggieri, Riccardo De Santis et al. · 0 citations

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