Emamzadeh Yazdi Simin, Heyman Heino Martin, Prinsloo Gerhard, Klimkait Thomas, Meyer Jacobus Johannes Marion
Department of Plant and Soil Sciences, University of Pretoria, Pretoria, South Africa.
Metabolon Inc., Morrisville, NC, United States.
Front Pharmacol. 2022 Jul 22;13:904231. doi: 10.3389/fphar.2022.904231. eCollection 2022.
Several species of the genus have been used ethnobotanically to treat conditions that we today know have been caused by viral infections. Since HIV is a modern disease with no ethnobotanical history, we commenced with a study on the anti-HIV activity of several species. Drug discovery of small molecules from natural resources that is based on the integration of chemical and biological activity by means of metabolomical analyses, enables faster and a more cost-effective path to identify active compounds without the need for a long process of bioassay-guided fractionation. This study used metabolomics to identify anti-HIV compounds as biomarkers from 57 species in a combined study of the chemical and biological data of two previous studies. In the OPLS-DA and hierarchical cluster analyses, anti-HIV activity data was included as a secondary observation, which assisted in the correlation of the phytochemical composition and biological activity of the samples. Clear grouping revealed similarity in chemical composition and bioactivity of the samples. Based on the biological activity of polar extracts, there was a distinct phytochemical difference between active and non-active groups of extracts. This NMR-based metabolomic investigation showed that the chlorogenic acids, compounds with cinnamoyl functional groups, and quinic acid were the most prominent compounds in the species with anti-HIV activity. This study further revealed that the chlorogenic acid type compounds and quinic acid are biomarkers for anti-HIV activity.
该属的几个物种在民族植物学中被用于治疗我们如今所知由病毒感染引起的病症。由于艾滋病病毒是一种没有民族植物学历史的现代疾病，我们开展了一项关于几个物种抗艾滋病病毒活性的研究。基于代谢组学分析将化学和生物活性相结合从自然资源中发现小分子药物，能够提供一条更快且更具成本效益的途径来鉴定活性化合物，而无需漫长的生物测定导向分级分离过程。本研究在两项先前研究的化学和生物学数据的联合研究中，使用代谢组学从57个物种中鉴定抗艾滋病病毒化合物作为生物标志物。在正交偏最小二乘法判别分析（OPLS-DA）和层次聚类分析中，抗艾滋病病毒活性数据作为次要观察指标纳入，这有助于样品的植物化学成分与生物活性之间的关联。清晰的分组揭示了样品在化学成分和生物活性方面的相似性。基于极性提取物的生物活性，活性提取物组和非活性提取物组之间存在明显的植物化学差异。这项基于核磁共振的代谢组学研究表明，绿原酸、具有肉桂酰官能团的化合物和奎尼酸是具有抗艾滋病病毒活性的物种中最突出的化合物。该研究进一步揭示，绿原酸类化合物和奎尼酸是抗艾滋病病毒活性的生物标志物。
