biostudies-literatureCheng LPCollaborative Innovation FundShanghai Municipal Education Commission1205-1218https://www.ebi.ac.uk/biostudies/studies/S-EPMC11244698biostudies-literatureUnknown16(12)Aim: The purpose of this study is to design and synthesize a new series of sulfamethazine derivatives as potent neuraminidase inhibitors. Materials & methods: A sulfamethazine lead compound, ZINC670537, was first identified by structure-based virtual screening technique, then some novel inhibitors X1-X10 based on ZINC670537 were designed and synthesized. Results: Compound X3 exerts the most good potency in inhibiting the wild-type H5N1 NA (IC50 = 6.74 μM) and the H274Y mutant NA (IC50 = 21.09 μM). 150-cavity occupation is very important in determining activities of these inhibitors. The sulfamethazine moiety also plays an important role. Conclusion: Compound X3 maybe regard as a good anti-influenza candidate to preform further study.Future medicinal chemistryDesign, synthesis and biological evaluation of sulfamethazine derivatives as potent neuraminidase inhibitors.PMC11244698XTCX2023Zhang XYCheng LPXiao XZPang WfalseDesign, synthesis and biological evaluation of sulfamethazine derivatives as potent neuraminidase inhibitors.Aim: The purpose of this study is to design and synthesize a new series of sulfamethazine derivatives as potent neuraminidase inhibitors. Materials & methods: A sulfamethazine lead compound, ZINC670537, was first identified by structure-based virtual screening technique, then some novel inhibitors X1-X10 based on ZINC670537 were designed and synthesized. Results: Compound X3 exerts the most good potency in inhibiting the wild-type H5N1 NA (IC50 = 6.74 μM) and the H274Y mutant NA (IC50 = 21.09 μM). 150-cavity occupation is very important in determining activities of these inhibitors. The sulfamethazine moiety also plays an important role. Conclusion: Compound X3 maybe regard as a good anti-influenza candidate to preform further study.2024-01-01T00:00:00Z20242026-06-01T18:03:57.166Z2026-05-19T03:07:02.661ZS-EPMC112446983898998610.1080/17568919.2024.2342688