Infectious Diseases Therapeutic Research Center, Korea Research Institute of Chemical Technology, 141 Gajeongro, Yuseong, Daejeon 34114, Republic of Korea; Department of Medicinal Chemistry and Pharmacology, University of Science and Technology, 217 Gajeongro, Yuseong, Daejeon 34113, Republic of Korea.
Infectious Diseases Therapeutic Research Center, Korea Research Institute of Chemical Technology, 141 Gajeongro, Yuseong, Daejeon 34114, Republic of Korea.
Bioorg Med Chem Lett. 2022 May 15;64:128673. doi: 10.1016/j.bmcl.2022.128673. Epub 2022 Mar 12.
Small-molecule inhibitors exhibiting broad-spectrum enteroviral inhibition by targeting viral replication proteins are highly desirable in antiviral drug discovery. We used the previously identified antiviral compound 1 as the starting material to develop a novel compound series with high efficacy against human rhinovirus (hRV). Further optimization of N-substituted triazolopyrimidinone derivatives revealed that the N-alkyl triazolopyrimidinone derivatives (2) had more potent antiviral activity against hRVs than compound 1. The new compounds showed improved selectivity index values, and compound 2c (KR-25210) displayed broad anti-hRV activity, with half-maximal effective concentration values ≤ 2 µM against all tested hRVs. In addition, 2c showed notable activity against other enteroviruses. Drug-likeness elucidation showed that 2c exhibited reasonable human and rat liver microsomal phase-I stability and safe CYP inhibition. Replication studies revealed that 2c is not a capsid inhibitor, and a time-of-addition assay indicated that 2c targets the virus replication stages.
小分子抑制剂通过靶向病毒复制蛋白来展现广谱的肠道病毒抑制作用,这在抗病毒药物研发中是非常理想的。我们以先前鉴定的抗病毒化合物 1 为起始原料,开发了一系列针对人类鼻病毒(hRV)具有高效的新型化合物。进一步优化 N-取代的三唑并嘧啶酮衍生物表明,N-烷基三唑并嘧啶酮衍生物(2)对 hRV 的抗病毒活性比化合物 1 更强。新化合物显示出改善的选择性指数值,化合物 2c(KR-25210)显示出广谱抗 hRV 活性,对所有测试的 hRV 的半数有效浓度值均≤2µM。此外,2c 对其他肠道病毒也表现出显著的活性。药物相似性阐明表明,2c 表现出合理的人肝微粒体和大鼠肝微粒体阶段 I 稳定性以及安全的 CYP 抑制作用。复制研究表明,2c 不是衣壳抑制剂,时相加试验表明 2c 靶向病毒复制阶段。