Department of Basic Medical Sciences, Neurosciences and Sense Organs, University of Bari "Aldo Moro", Piazza G. Cesare 11, 70124 Bari, Italy.
Department of Medicine, University Campus Bio-Medico of Rome, Via Alvaro del Portillo 21, 00128 Rome, Italy.
Molecules. 2021 Mar 5;26(5):1409. doi: 10.3390/molecules26051409.
In late 2019, a global pandemic occurred. The causative agent was identified as a member of the family, called severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). In this study, we present an analysis on the substances identified in the human metabolome capable of binding the active site of the SARS-CoV-2 main protease (M). The substances present in the human metabolome have both endogenous and exogenous origins. The aim of this research was to find molecules whose biochemical and toxicological profile was known that could be the starting point for the development of antiviral therapies. Our analysis revealed numerous metabolites-including xenobiotics-that bind this protease, which are essential to the lifecycle of the virus. Among these substances, silybin, a flavolignan compound and the main active component of silymarin, is particularly noteworthy. Silymarin is a standardized extract of milk thistle, , and has been shown to exhibit antioxidant, hepatoprotective, antineoplastic, and antiviral activities. Our results-obtained in silico and in vitro-prove that silybin and silymarin, respectively, are able to inhibit M, representing a possible food-derived natural compound that is useful as a therapeutic strategy against COVID-19.
2019 年末，一场全球大流行疫情发生。病原体被确定为冠状病毒科的一个成员，称为严重急性呼吸系统综合征冠状病毒 2（SARS-CoV-2）。在这项研究中，我们对人类代谢组中能够结合 SARS-CoV-2 主要蛋白酶（M）活性位点的物质进行了分析。人类代谢组中的物质既有内源性的，也有外源性的。本研究的目的是找到已知生化和毒理学特征的分子，作为抗病毒治疗发展的起点。我们的分析揭示了许多代谢物，包括结合这种蛋白酶的外来物质，这些物质对病毒的生命周期至关重要。在这些物质中，水飞蓟宾是一种黄酮类化合物，是水飞蓟素的主要活性成分，尤其值得注意。水飞蓟素是奶蓟草的标准化提取物，已被证明具有抗氧化、保肝、抗肿瘤和抗病毒活性。我们的体内和体外研究结果证明，水飞蓟宾和水飞蓟素分别能够抑制 M，这代表了一种可能的源自食物的天然化合物，可作为对抗 COVID-19 的治疗策略。
