磺胺间二甲氧嘧啶衍生物的设计、合成与生物评价及其作为强效神经氨酸酶抑制剂的研究。
Design, synthesis and biological evaluation of sulfamethazine derivatives as potent neuraminidase inhibitors.
机构信息
School of Chemical & Environmental Engineering, Shanghai Institute of Technology, Shanghai, 201418, China.
出版信息
Future Med Chem. 2024;16(12):1205-1218. doi: 10.1080/17568919.2024.2342688. Epub 2024 May 10.
Abstract
The purpose of this study is to design and synthesize a new series of sulfamethazine derivatives as potent neuraminidase inhibitors. A sulfamethazine lead compound, , was first identified by structure-based virtual screening technique, then some novel inhibitors based on were designed and synthesized. Compound exerts the most good potency in inhibiting the wild-type H5N1 NA (IC = 6.74 μM) and the H274Y mutant NA (IC = 21.09 μM). 150-cavity occupation is very important in determining activities of these inhibitors. The sulfamethazine moiety also plays an important role. Compound maybe regard as a good anti-influenza candidate to preform further study.
摘要
本研究旨在设计和合成一系列新的磺胺嘧啶衍生物作为有效的神经氨酸酶抑制剂。首先通过基于结构的虚拟筛选技术鉴定磺胺嘧啶先导化合物 ，然后设计并合成了一些基于 的新型抑制剂。化合物 对抑制野生型 H5N1 NA（IC=6.74μM）和 H274Y 突变型 NA（IC=21.09μM）具有最强的活性。150 位空腔占据对于这些抑制剂的活性非常重要。磺胺嘧啶部分也起着重要作用。化合物 可能被视为一种良好的抗流感候选药物，值得进一步研究。
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