(+)-麦角酸及其衍生物作为广泛谱 SARS-CoV-2 病毒抑制剂。
(+)-Usnic Acid and Its Derivatives as Inhibitors of a Wide Spectrum of SARS-CoV-2 Viruses.
机构信息
Department of Medicinal Chemistry, N.N. Vorozhtsov Novosibirsk Institute of Organic Chemistry SB RAS, 630090 Novosibirsk, Russia.
State Research Center of Virology and Biotechnology VECTOR, Rospotrebnadzor, 630559 Yekaterinburg, Russia.
出版信息
Viruses. 2022 Sep 29;14(10):2154. doi: 10.3390/v14102154.
In order to test the antiviral activity, a series of usnic acid derivatives were synthesized, including new, previously undescribed compounds. The activity of the derivatives against three strains of SARS-CoV-2 virus was studied. To understand the mechanism of antiviral action, the inhibitory activity of the main protease of SARS-CoV-2 virus was studied using the developed model as well as the antiviral activity against the pseudoviral system with glycoprotein S of SARS-CoV-2 virus on its surface. It was shown that usnic acid exhibits activity against three strains of SARS-CoV-2 virus: Wuhan, Delta, and Omicron. Compounds and also showed high activity against the three strains. The performed biological studies and molecular modeling allowed us to assume that the derivatives of usnic acid bind in the N-terminal domain of the surface glycoprotein S at the binding site of the hemoglobin decay metabolite.
为了测试抗病毒活性，合成了一系列地衣酸衍生物，包括新的、以前未描述的化合物。研究了衍生物对三种 SARS-CoV-2 病毒株的活性。为了了解抗病毒作用的机制，使用开发的模型研究了 SARS-CoV-2 病毒主要蛋白酶的抑制活性，以及针对表面具有 SARS-CoV-2 病毒糖蛋白 S 的假病毒系统的抗病毒活性。结果表明，地衣酸对三种 SARS-CoV-2 病毒株：武汉、德尔塔和奥密克戎均具有活性。化合物 和 也对这三种病毒株表现出高活性。进行的生物学研究和分子建模使我们假设地衣酸衍生物结合在表面糖蛋白 S 的 N 端结构域中，位于血红蛋白降解代谢物的结合位点上。
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