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In silico discovery identifies non-covalent inhibitors for yellow fever virus protease, suggesting potential therapies.
Three New Chemical Entities (NCE_YF1, NCE_YF2, NCE_YF3) identified as Stage 1 inhibitor candidates for Yellow Fever virus NS2B-NS3 serine protease (PDB 5GJ4). Non-covalent scaffolds targeting the His51/Asp75/Ser135 catalytic triad. All confirmed as NCEs in PubChem, ChEMBL, ZINC, SureChEMBL and global patent databases. Hardware-agnostic pipeline. No institutional funding. Buenos Aires, Argentina, 2026.
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Andrés Sebastián Pirolo (2026) studied this question.
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