The ongoing COVID-19 global pandemic caused by SARS-CoV-2 inspires the development of effective inhibitors to block the SARS-CoV-2 spike–ACE2 interaction. A chemical investigation on the fruiting bodies of Phellinus pini led to the isolation of five aromatic cadinane sesquiterpenoids including four new ones, named piniterpenoids A–D (1–4), as well as three known lignans. Their structures were determined by extensive spectroscopic analysis including HRMS and 1D and 2D NMR. All of the aromatic cadinane sesquiterpenoids inhibited the SARS-CoV-2 spike–ACE2 interaction, with IC₅₀ values ranging from 64.5 to 99.1 μM. A molecular docking study showed the disruption of the interaction of compound 1 via hydrogen interactions with Arg403, Asp405, and Arg408 of SARS-CoV-2 RBD and Arg393 and His34 residues of ACE2. These results suggested that aromatic cadinane sesquiterpenoids might be useful in developing agents for COVID-19.

中文翻译：

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来自桑黄子实体的芳香卡地烷倍半萜类化合物可阻断 SARS-CoV-2 Spike-ACE2 相互作用

由 SARS-CoV-2 引起的持续的 COVID-19 全球大流行激发了有效抑制剂的开发，以阻止 SARS-CoV-2 刺突与 ACE2 相互作用。对桑黄子实体的化学研究分离出五种芳香族杜松烷倍半萜类化合物，其中包括四种新的化合物，名为松萜类化合物 A–D ( 1 - 4 )，以及三种已知的木脂素。它们的结构通过广泛的光谱分析（包括 HRMS、1D 和 2D NMR）确定。所有芳香族杜松烷倍半萜类化合物均抑制 SARS-CoV-2 刺突与 ACE2 相互作用，IC ₅₀值范围为 64.5 至 99.1 μM。分子对接研究表明，化合物1的相互作用通过与 SARS-CoV-2 RBD 的 Arg403、Asp405 和 Arg408 以及 ACE2 的 Arg393 和 His34 残基的氢相互作用而被破坏。这些结果表明芳香族杜松倍半萜类化合物可能可用于开发针对 COVID-19 的药物。