| 王贤杨,张静,方诗源,等.海洋天然产物Polycarpaurines C的合成及其对新型冠状病毒SARS-CoV-2的抑制作用[J].中国海洋药物,2023,42(4):45-50. |
| 海洋天然产物Polycarpaurines C的合成及其对新型冠状病毒SARS-CoV-2的抑制作用 |
| Synthesis of marine natural product Polycarpaurines C and its inhibitory effect on SARS-CoV-2 |
| 投稿时间：2022-04-22 修订日期：2022-05-06 |
| DOI：10.13400/j.cnki.cjmd.2023.04.004 |
| 中文关键词: Mpro抑制剂 SARS-CoV-2 含硫海洋生物碱 |
| English Keywords:Mpro inhibitor SARS-CoV-2 sulfur-containing marine alkaloids |
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| 中文摘要: |
| 摘 要：目的：合成海洋天然产物，含硫海洋生物碱Polycarpaurines C，并测试其对SARS-CoV-2的抑制作用。方法：将4-乙酰基苯硼酸为原料经过过氧化氢氧化、甲基化、溴化、引入甲胺基、与2-乙基异硫脲氢溴酸盐缩合、与S2Cl2氧化偶联等反应，经过7步合成Polycarpaurines C，并对其测试对于SARS-CoV-2的抑制作用，利用分子对接技术测试Polycarpaurines C与Mpro的结合。结果：合成了目标天然产物Polycarpaurines C，并对其测试了对SARS-CoV-2的抑制作用，结果显示Polycarpaurine C对SARS-CoV-2具有不错的抑制作用，测得IC50为13.76 μM，但是与阳性药还有一定的差距，可作为药物进一步开发的模板骨架。 |
| English Summary: |
| bstract: Objective: Synthesizeing the marine natural product, sulfur-containing marine alkaloid Polycarpaurines C. and, estimating its inhibitory effect on SARS-CoV-2. Methods: Polycarpaurines C is synthesized from 4-acetylbenzeneboronic acid in 7 steps by oxidation with hydrogen peroxide, methylation, bromination, introduction of methylamine group, condensation with 2-ethylisothiourea hydrobromide, and oxidative coupling with S2Cl2, then test its inhibitory effect on SARS-CoV-2. The binding of Polycarpaurines C to Mpro is simulated by the molecular docking technique. Results: The natural product Polycarpaurines C was synthesized and tested for its inhibition against SARS-CoV-2. It indicated that Polycarpaurine C restricted SARS-CoV-2 in VERO-E6 cells with an IC50 value of 13.76 μM, which is much higher than the positive control. It suggested that this compound could be a lead for further optimization. |
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