Metabolomics in the Context of Plant Natural Products Research: From Sample Preparation to Metabolite Analysis

Abstract

Plant-derived natural products have long been considered a valuable source of lead compounds for drug development. Natural extracts are usually composed of hundreds to thousands of metabolites, whereby the bioactivity of natural extracts can be represented by synergism between several metabolites. However, isolating every single compound from a natural extract is not always possible due to the complex chemistry and presence of most secondary metabolites at very low levels. Metabolomics has emerged in recent years as an indispensable tool for the analysis of thousands of metabolites from crude natural extracts, leading to a paradigm shift in natural products drug research. Analytical methods such as mass spectrometry (MS) and nuclear magnetic resonance (NMR) are used to comprehensively annotate the constituents of plant natural products for screening, drug discovery as well as for quality control purposes such as those required for phytomedicine. In this review, the current advancements in plant sample preparation, sample measurements, and data analysis are presented alongside a few case studies of the successful applications of these processes in plant natural product drug discovery.

Comprehensive Metabolome Analysis of Fermented Aqueous Extracts of Viscum album L. by Liquid Chromatography−High Resolution Tandem Mass Spectrometry

“…Liquid chromatography−mass spectrometry (LC-MS) is a powerful analytical technique used for the identification and quantification of a wide range of metabolites. Its advantages, such as sensibility, fast and feasible method for large scale sample analysis, make it the instrument of choice for plant-derived natural products untargeted metabolomics [ 21 ].…”

Plant Secondary Metabolites in the Battle of Drugs and Drug-Resistant Bacteria: New Heroes or Worse Clones of Antibiotics?

“…Metabolomics has emerged in recent years as an indispensable tool for the analysis of thousands of metabolites from crude natural extracts, leading to a paradigm shift in natural drug products [34][35][36][37].…”

“…Recent developments in analytical chemistry platforms, such The next important step is the isolation, purification, and detailed characterization of active metabolites from crude plant extracts. Recent developments in analytical chemistry platforms, such as mass spectrometry supplied with gas/liquid chromatography or capillary electrophoresis, and nuclear magnetic resonance (NMR) spectroscopy, have led to highly efficient tools for metabolome analysis, allowing for the detailed characterization and ultimately the structural elucidation of these agents [34,47,48]. At the final stage, the biological activity, i.e., the effects in cell lines, animal models or human volunteers, is screened for assessing the pharmacological potential of the candidate compounds.…”

Promoting Human Nutrition and Health through Plant Metabolomics: Current Status and Challenges

“…Plant-derived natural products are important sources for drugs including TCM development. Metabolomics has emerged as an indispensable tool for drug development to protect human health, which renders drug discovery in plants more efficient and more effective via studying the relationship between medicinal plants and their biological effects [ 22 , 120 , 121 , 122 ]. Metabolomics has been used for quality control of natural products by monitoring the efficacy of phytomedicines, such as chamomile [ 123 ] and Cannabis sativa [ 124 ], to ensure efficiency and safety, and content uniformity [ 21 ].…”