实验和对接研究揭示大岗茶成分对冠状病毒的多靶点作用机制。
Multi-target mechanisms against coronaviruses of constituents from Chinese Dagang Tea revealed by experimental and docking studies.
机构信息
Key Laboratory of Plant Resources Conservation and Sustainable Utilization, Guangdong Provincial Key Laboratory of Applied Botany, South China Botanical Garden, Chinese Academy of Sciences, Guangzhou, 510650, PR China.
Key Laboratory of Plant Resources Conservation and Sustainable Utilization, Guangdong Provincial Key Laboratory of Applied Botany, South China Botanical Garden, Chinese Academy of Sciences, Guangzhou, 510650, PR China; University of Chinese Academy of Sciences, Beijing, 100049, PR China.
出版信息
J Ethnopharmacol. 2022 Oct 28;297:115528. doi: 10.1016/j.jep.2022.115528. Epub 2022 Jul 12.
ETHNOPHARMACOLOGICAL RELEVANCE
The leaves of Eurya chinensis（Chinese Dagang Tea）have been consumed as herbal tea for centuries in Guangdong, China, and have also been used to prevent influenza and treat colds and fevers in traditional Chinese medicine. However, there are no reports on the chemical profile and efficacy of its leaves for the treatment of fever and viral infections.
MATERIALS AND METHODS
The chemical constituents of Eurya chinensis leaves were isolated and identified by phytochemical study and spectroscopic data, E. chinensis extracts and compounds were evaluated for their antiviral activities by cytopathic effect (CPE) reduction and antibody-based EC assay. The antiviral effect of the main component was confirmed by immunofluorescence and transmission electron microscopy. Virtual screening and docking enzyme inhibition experiments were performed to analyze the anti-coronavirus mechanisms of the compounds from E. chinensis leaves.
RESULTS
In this study, we found for the first time that E. chinensis leaf extract exhibited inhibitory effects against coronaviruses HCoV-OC43 in vitro. Among 23 monomer compounds isolated from E. chinensis leaf extract, the triterpenoids (betulinic acid, α-amyrin) and the flavonoids (naringenin, eriodictyol and quercetin) showed marked antiviral activity. Microscopic optical analyses further demonstrated that betulinic acid can remove virus particles from HCoV-OC43 infected cells. Virtual screening and docking analysis towards the coronavirus in vogue revealed that betulinic acid was able to bind well to PLpro and Nsp14N7-MTase, and that the flavonoids prefer to bind with PLpro, Nsp3MES, NspP14N7-MTase, Nsp16GTA, and Nsp16SAM. The enzyme inhibition experiments demonstrated that betulinic acid (1) exhibited significant inhibition of PLpro and N7-MTase activity of SARS-CoV-2.
CONCLUSION
This study proposes E. chinensis and its triterpenoids and flavonoids as promising potential treatments for coronaviruses.
民族药理学相关性
中国大岗茶（Eurya chinensis）的叶子在中国广东被用作草药茶已有数百年的历史，也被用于预防流感和治疗感冒和发烧在传统的中医。然而，目前还没有关于其叶子治疗发烧和病毒感染的化学特征和疗效的报告。
材料和方法
通过植物化学研究和光谱数据分析，从中国大岗茶叶中分离和鉴定化学成分，通过细胞病变效应（CPE）减少和基于抗体的 EC 测定评估大岗茶提取物和化合物的抗病毒活性。主要成分的抗病毒作用通过免疫荧光和透射电子显微镜得到证实。进行虚拟筛选和对接酶抑制实验，以分析来自中国大岗茶叶的化合物的抗冠状病毒机制。
结果
在这项研究中，我们首次发现中国大岗茶叶提取物对体外冠状病毒 HCoV-OC43 具有抑制作用。从中国大岗茶叶提取物中分离得到的 23 种单体化合物中，三萜类（白桦脂酸、α-熊果酸）和黄酮类（柚皮素、圣草酚和槲皮素）表现出明显的抗病毒活性。显微镜光学分析进一步表明，白桦脂酸可以从 HCoV-OC43 感染的细胞中去除病毒颗粒。针对当前流行的冠状病毒的虚拟筛选和对接分析表明，白桦脂酸能够与 PLpro 和 Nsp14N7-MTase 很好地结合，而黄酮类化合物更喜欢与 PLpro、Nsp3MES、NspP14N7-MTase、Nsp16GTA 和 Nsp16SAM 结合。酶抑制实验表明，白桦脂酸（1）对 SARS-CoV-2 的 PLpro 和 N7-MTase 活性表现出显著的抑制作用。
结论
本研究提出中国大岗茶及其三萜类和黄酮类化合物可作为治疗冠状病毒的有前途的潜在方法。
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