{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Cheng LP"],"funding":["Collaborative Innovation Fund","Shanghai Municipal Education Commission"],"pagination":["1205-1218"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC11244698"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["16(12)"],"pubmed_abstract":["<b>Aim:</b> The purpose of this study is to design and synthesize a new series of sulfamethazine derivatives as potent neuraminidase inhibitors. <b>Materials & methods:</b> A sulfamethazine lead compound, <b>ZINC670537</b>, was first identified by structure-based virtual screening technique, then some novel inhibitors <b>X1-X10</b> based on <b>ZINC670537</b> were designed and synthesized. <b>Results:</b> Compound <b>X3</b> exerts the most good potency in inhibiting the wild-type H5N1 NA (IC<sub>50</sub> = 6.74 μM) and the H274Y mutant NA (IC<sub>50</sub> = 21.09 μM). 150-cavity occupation is very important in determining activities of these inhibitors. The sulfamethazine moiety also plays an important role. <b>Conclusion:</b> Compound <b>X3</b> maybe regard as a good anti-influenza candidate to preform further study."],"journal":["Future medicinal chemistry"],"pubmed_title":["Design, synthesis and biological evaluation of sulfamethazine derivatives as potent neuraminidase inhibitors."],"pmcid":["PMC11244698"],"funding_grant_id":["XTCX2023"],"pubmed_authors":["Zhang XY","Cheng LP","Xiao XZ","Pang W"],"additional_accession":[]},"is_claimable":false,"name":"Design, synthesis and biological evaluation of sulfamethazine derivatives as potent neuraminidase inhibitors.","description":"<b>Aim:</b> The purpose of this study is to design and synthesize a new series of sulfamethazine derivatives as potent neuraminidase inhibitors. <b>Materials & methods:</b> A sulfamethazine lead compound, <b>ZINC670537</b>, was first identified by structure-based virtual screening technique, then some novel inhibitors <b>X1-X10</b> based on <b>ZINC670537</b> were designed and synthesized. <b>Results:</b> Compound <b>X3</b> exerts the most good potency in inhibiting the wild-type H5N1 NA (IC<sub>50</sub> = 6.74 μM) and the H274Y mutant NA (IC<sub>50</sub> = 21.09 μM). 150-cavity occupation is very important in determining activities of these inhibitors. The sulfamethazine moiety also plays an important role. <b>Conclusion:</b> Compound <b>X3</b> maybe regard as a good anti-influenza candidate to preform further study.","dates":{"release":"2024-01-01T00:00:00Z","publication":"2024","modification":"2026-06-01T18:03:57.166Z","creation":"2026-05-19T03:07:02.661Z"},"accession":"S-EPMC11244698","cross_references":{"pubmed":["38989986"],"doi":["10.1080/17568919.2024.2342688"]}}