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Axial Chiral Binaphthoquinone and Perylenequinones from the Stromata of Hypocrella bambusae Are SARS-CoV-2 Entry Inhibitors
Journal of Natural Products ( IF 3.3 ) Pub Date : 2021-02-09 , DOI: 10.1021/acs.jnatprod.0c01136 Yu-Ting Li , Chan Yang , Yan Wu 1 , Jun-Jiang Lv 2 , Xiao Feng , Xiaofei Tian 3 , Zhengzheng Zhou , Xiaoyan Pan 1 , Shuwen Liu , Li-Wen Tian
Journal of Natural Products ( IF 3.3 ) Pub Date : 2021-02-09 , DOI: 10.1021/acs.jnatprod.0c01136 Yu-Ting Li , Chan Yang , Yan Wu 1 , Jun-Jiang Lv 2 , Xiao Feng , Xiaofei Tian 3 , Zhengzheng Zhou , Xiaoyan Pan 1 , Shuwen Liu , Li-Wen Tian
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A new axial chiral binaphtoquinone, hypocrellone (1), and a new perylenequinone, hypomycin F (2), were isolated from the stromata of Hypocrella bambusae, together with five known compounds, 3–7. The structures of 1 and 2 were assigned by spectroscopic and HRESIMS data analyses. The axial chirality of 1 was determined by electronic circular dichroism data analysis, and the absolute configurations of 2 and 3 were determined by X-ray crystallography. The axial chirality of 7 was determined by UV-induced photooxidation from 4. Compounds 1, 4, and 5 showed inhibitory activity against pseudotyped SARS-CoV-2 infection in 293T-ACE2 cells with IC50 values of 0.17, 0.038, and 0.12 μM. Compounds 4 and 5 were also active against live SARS-CoV-2 infection with EC50 values of 0.22 and 0.21 μM, respectively. Further cell–cell fusion assays, surface plasmon resonance assays, and molecular docking studies revealed that 4 and 5 could bind with the receptor-binding domain of SARS-CoV-2 S protein to prevent its interaction with human angiotensin-converting enzyme II receptor. Our results revealed that 4 and 5 are potential SARS-CoV-2 entry inhibitors.
中文翻译：
竹小球菌气孔的轴性手性联萘醌和Per醌是SARS-CoV-2进入抑制剂
一种新的手性轴向binaphtoquinone，hypocrellone（1），和一个新的醌，hypomycin F（2），购自的子座分离Hypocrella竹红菌具有五个已知的化合物，一起3 - 7。1和2的结构通过光谱和HRESIMS数据分析指定。通过电子圆二色性数据分析确定1的轴向手性，并通过X射线晶体学确定2和3的绝对构型。7的轴向手性是由UV诱导的4的光氧化作用确定的。化合物1，4，和5在293T-ACE2细胞与IC针对假SARS-CoV的-2感染显示抑制活性50个0.17，0.038和0.12μM的值。化合物4和5还具有抗活SARS-CoV-2感染的活性，EC 50值分别为0.22和0.21μM。进一步的细胞间融合测定，表面等离振子共振测定和分子对接研究表明，4和5可以与SARS-CoV-2 S蛋白的受体结合域结合，从而阻止其与人类血管紧张素转化酶II受体的相互作用。我们的结果表明4和5种是潜在的SARS-CoV-2进入抑制剂。
更新日期：2021-02-26
中文翻译：
竹小球菌气孔的轴性手性联萘醌和Per醌是SARS-CoV-2进入抑制剂
一种新的手性轴向binaphtoquinone，hypocrellone（1），和一个新的醌，hypomycin F（2），购自的子座分离Hypocrella竹红菌具有五个已知的化合物，一起3 - 7。1和2的结构通过光谱和HRESIMS数据分析指定。通过电子圆二色性数据分析确定1的轴向手性，并通过X射线晶体学确定2和3的绝对构型。7的轴向手性是由UV诱导的4的光氧化作用确定的。化合物1，4，和5在293T-ACE2细胞与IC针对假SARS-CoV的-2感染显示抑制活性50个0.17，0.038和0.12μM的值。化合物4和5还具有抗活SARS-CoV-2感染的活性，EC 50值分别为0.22和0.21μM。进一步的细胞间融合测定，表面等离振子共振测定和分子对接研究表明，4和5可以与SARS-CoV-2 S蛋白的受体结合域结合，从而阻止其与人类血管紧张素转化酶II受体的相互作用。我们的结果表明4和5种是潜在的SARS-CoV-2进入抑制剂。
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