Inhibitory Effects and Surface Plasmon Resonance-Based Binding Affinities of Dietary Hydrolyzable Tannins and Their Gut Microbial Metabolites on SARS-CoV-2 Main Protease,Journal of Agricultural and Food Chemistry

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Inhibitory Effects and Surface Plasmon Resonance-Based Binding Affinities of Dietary Hydrolyzable Tannins and Their Gut Microbial Metabolites on SARS-CoV-2 Main Protease
Journal of Agricultural and Food Chemistry ( IF 5.7 ) Pub Date : 2021-09-29 , DOI: 10.1021/acs.jafc.1c03521
Huifang Li _{1,

2} , Feng Xu _{2,

3} , Chang Liu ₂ , Ang Cai _{2,

4} , Joel A Dain ₄ , Dongli Li ₁ , Navindra P Seeram ₂ , Bongsup P Cho ₂ , Hang Ma _{1,

2}

Affiliation

Severe acute respiratory syndrome coronavirus (SARS-CoV-2) main protease (Mpro) inhibitors are considered as potential treatments for coronavirus disease 2019, and dietary polyphenols show promise in SARS-CoV-2 Mpro inhibition based on in silico studies. In the present study, we utilize a combination of biochemical-, surface plasmon resonance-, and docking-based assays to evaluate the inhibition and binding affinities of a series of tannins and their gut microbial metabolites on SARS-CoV-2 Mpro. The tested compounds (2–50 μM) were hydrolyzable tannins, including ellagitannins (punicalagin and ellagic acid) and gallotannins (tannic acid, pentagalloyl glucose, ginnalin A, and gallic acid), and their gut microbial metabolites, urolithins and pyrogallol, respectively. They inhibited SARS-CoV-2 Mpro (by 6.6–100.0% at 50 μM) and bound directly to the Mpro protein (with dissociation constants from 1.1 × 10^–6 to 5.3 × 10^–5 M). This study sheds light on the inhibitory effects of tannins and their metabolites on SARS-CoV-2 Mpro.

中文翻译：

膳食可水解单宁及其肠道微生物代谢物对 SARS-CoV-2 主要蛋白酶的抑制作用和基于表面等离子共振的结合亲和力

严重急性呼吸综合征冠状病毒 (SARS-CoV-2) 主要蛋白酶 (Mpro) 抑制剂被认为是 2019 年冠状病毒病的潜在治疗方法，根据计算机模拟研究，膳食多酚在抑制 SARS-CoV-2 Mpro 方面显示出前景。在本研究中，我们利用生化、表面等离振子共振和基于对接的检测相结合来评估一系列单宁及其肠道微生物代谢物对 SARS-CoV-2 Mpro 的抑制和结合亲和力。测试的化合物（2-50μM）是可水解单宁，包括鞣花单宁（安石榴苷和鞣花酸）和没食子单宁（单宁酸、五没食子酰葡萄糖、金桂酸A和没食子酸），以及它们的肠道微生物代谢物，分别是尿石素和连苯三酚。它们抑制 SARS-CoV-2 Mpro（50 μM 时抑制 6.6–100.0%）并直接与 Mpro 蛋白结合（解离常数为 1.1 × 10 ^–6至 5.3 × 10 ^–5 M）。这项研究揭示了单宁及其代谢物对 SARS-CoV-2 Mpro 的抑制作用。

更新日期：2021-10-20

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