Olivares-Vicente Marilo, Barrajon-Catalan Enrique, Herranz-Lopez Maria, Segura-Carretero Antonio, Joven Jorge, Encinar Jose Antonio, Micol Vicente
Instituto de Biología Molecular y Celular (IBMC), Universidad Miguel Hernández (UMH), Alicante, Spain.
Department of Analytical Chemistry, University of Granada, Granada, Spain.
Curr Drug Metab. 2018;19(4):351-369. doi: 10.2174/1389200219666180220095236.
Hibiscus sabdariffa, Lippia citriodora, Rosmarinus officinalis and Olea europaea, are rich in bioactive compounds that represent most of the phenolic compounds' families and have exhibited potential benefits in human health. These plants have been used in folk medicine for their potential therapeutic properties in human chronic diseases. Recent evidence leads to postulate that polyphenols may account for such effects. Nevertheless, the compounds or metabolites that are responsible for reaching the molecular targets are unknown.
data based on studies directly using complex extracts on cellular models, without considering metabolic aspects, have limited applicability. In contrast, studies exploring the absorption process, metabolites in the blood circulation and tissues have become essential to identify the intracellular final effectors that are responsible for extracts bioactivity. Once the cellular metabolites are identified using high-resolution mass spectrometry, docking techniques suppose a unique tool for virtually screening a large number of compounds on selected targets in order to elucidate their potential mechanisms.
we provide an updated overview of the in vitro and in vivo studies on the toxicity, absorption, permeability, pharmacokinetics and cellular metabolism of bioactive compounds derived from the abovementioned plants to identify the potential compounds that are responsible for the observed health effects.
we propose the use of targeted metabolomics followed by in silico studies to virtually screen identified metabolites on selected protein targets, in combination with the use of the candidate metabolites in cellular models, as the methods of choice for elucidating the molecular mechanisms of these compounds.
玫瑰茄、柠檬马鞭草、迷迭香和油橄榄富含生物活性化合物，这些化合物代表了大多数酚类化合物家族，并且已显示出对人类健康有潜在益处。这些植物因其在人类慢性疾病中的潜在治疗特性而被用于民间医学。最近的证据表明，多酚可能是造成这些效果的原因。然而，负责作用于分子靶点的化合物或代谢物尚不清楚。
基于直接在细胞模型上使用复杂提取物而不考虑代谢方面的研究数据适用性有限。相比之下，探索吸收过程、血液循环和组织中的代谢物对于确定负责提取物生物活性的细胞内最终效应物至关重要。一旦使用高分辨率质谱法鉴定出细胞代谢物，对接技术就成为一种独特的工具，用于在选定靶点上虚拟筛选大量化合物，以阐明其潜在机制。
我们提供了关于上述植物衍生的生物活性化合物的毒性、吸收、渗透性、药代动力学和细胞代谢的体外和体内研究的最新综述，以确定对观察到的健康影响负责的潜在化合物。
我们建议使用靶向代谢组学，随后进行计算机模拟研究，以在选定的蛋白质靶点上虚拟筛选已鉴定的代谢物，并结合在细胞模型中使用候选代谢物，作为阐明这些化合物分子机制的首选方法。
