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Author

E. Maccioni

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Open access Aug 2026

The natural coumarin 7-methoxy-8-isopentenyloxycoumarin alleviates LPS-induced inflammation by suppressing NF-κB and the MAPK/AP-1 pathways and accelerating COX-2 proteasomal degradation.

In vivo administration of 7MI dramatically improved survival rate and mitigated multi-organ damage in a murine model of fatal sepsis, highlighting its potential as a lead compound for LPS-associated inflammatory disorders.

Shiu-Wen Huang, Hsiu-Chen Chen, Antonio Lupia 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.

Starting from the crystal structure of a Zika virus (ZIKV) NS2B-NS3 protease with bound allosteric inhibitor, we generated dynamic pharmacophore models derived from representative molecular dynamics (MD) conformations to capture key interaction patterns. These models guided a pharmacophore-based virtual screening of co...

Antonio Lupia, Salvatore Nieddu, Laura Demuru et al. · 0 citations

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