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

Author

E. Tramontano

h-index 41 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

In silico-guided design, synthesis and in vitro evaluation of thiazolo-pyridines targeting SARS-CoV-2 Nsp13.

In the search for novel antiviral agents targeting SARS-CoV-2 non-structural protein 13 (Nsp13), we applied an integrated in silico drug design workflow combining ADME profiling, molecular interaction field analysis, molecular docking and thermodynamic evaluations to identify thiazolo-pyridine derivatives as promising...

R. Bivacqua, Roberta Emmolo, Gianmarco Gualtieri 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 Jul 2026

Structure–Activity Relationships of Pyrrolyl-Containing Diketo Acid and Non-Diketo Acid Derivatives as Inhibitors of SARS-CoV-2 nsp13-Associated Activities

A series of 4-phenyl pyrrolyl DKAs and their structural analogs characterized by molecular simplification or DKA isosteric replacement showed potency against both nsp13-associated activities exhibiting measurable IC50s in the low micromolar/submicromolar range, highlighting a promising dual inhibitory profile according...

E. Patacchini, Francesco Saccoliti, Roberta Emmolo et al. · 0 citations

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