Centaurium erythraea is recommended for the treatment of gastrointestinal disorders and to reduce hypercholesterolemia in ethno-medicinal practice. To perform a top-down study that could give some insight into the molecular basis of these bioactivities, decoctions from C. erythraea leaves were prepared and the compounds were identified by liquid chromatography-high resolution tandem mass spectrometry (LC–MS/MS). Secoiridoids glycosides, like gentiopicroside and sweroside, and several xanthones, such as di-hydroxy-dimethoxyxanthone, were identified. Following some of the bioactivities previously ascribed to C. erythraea, we have studied its antioxidant capacity and the ability to inhibit acetylcholinesterase (AChE) and 3-hydroxy-3-methylglutaryl coenzyme A reductase (HMGR). Significant antioxidant activities were observed, following three assays: free radical 2,2-diphenyl-1-picrylhydrazyl (DPPH) reduction; lipoperoxidation; and NO radical scavenging capacity. The AChE and HMGR inhibitory activities for the decoction were also measured (56% at 500 μg/mL and 48% at 10 μg/mL, respectively). Molecular docking studies indicated that xanthones are better AChE inhibitors than gentiopicroside, while this compound exhibits a better shape complementarity with the HMGR active site than xanthones. To the extent of our knowledge, this is the first report on AChE and HMGR activities by C. erythraea decoctions, in a top-down analysis, complemented with in silico molecular docking, which aims to understand, at the molecular level, some of the biological effects ascribed to infusions from this plant.

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Fucus vesiculosus L. is a common coastal brown seaweed associated with various benefits to human health due to its phenolic content and nutrients and is used as food through different methods of consumption. This study aims to evaluate the influence of the seaweed’s gender and growth stage on different types of biological activities as well as its chemical constitution and elements present. Akin to food preparation, aqueous extracts of the seaweed were prepared at 25 °C (salad) and 100 °C (soup). Biological activities were determined by measuring total phenol content (TPC), antioxidant activity and inhibition of acetylcholinesterase (AChE). Liquid Chromatography High Resolution Mass Spectrometry (LC-HRMS/MS) was used for compound identification, and elemental analysis was carried out by using Total Reflection X-ray Fluorescence Spectrometry (TXRF). Older females and males had higher TPC compared to the new ones at 100 °C. Antioxidant activity depended on the extraction temperature but was higher for the youngest male at 100 °C. AChE inhibitory activity was higher for older males at 25 °C, but at 100 °C it was higher for older females. Primary metabolites and various phloroglucinol were the main compounds identified. Additionally, since this seaweed is often harvested in estuarine systems with high anthropogenic impacts, its safety was evaluated through the evaluation of the sample’s metal content. The heavy metals detected are within the limits established by various regulating entities, pointing to a safe food source.

Diospyros kaki known as Persimmon has played an important role in Chinese medicine, and its leaves are used in pharmaceuticals, cosmetics, and beverages due to their biological properties. The aim of this study was to evaluate chemical composition, antioxidant activity, enzyme inhibition. The main compounds of Diospyros kaki leaves decoctions were identified using high-resolution liquid chromatography – high-resolution tandem mass spectrometry (LC-HRMS-MS) interfaced with a Quadrupole Time-of-Flight (Q-tof). The obtained results showed that the aqueous extract had a high content of total phenolsand flavonoids and showed strong antioxidant activity (EC50 between 3.79±0.19 and 12.05±0.11µg/mL). In addition, these extracts were able to inhibit3-hydroxy-3-methylglutaril-CoA (HMG-CoA) reductase and acetylcholinesterase (IC50 ranging from 58.35±0.69 to 210.21±28.9 µg/mL). The cytotoxicity against human liver cells HepG2 and breast MCF7 cell lines was also evaluated. No cytotoxicity to HepG2 and MCF7 cells was detected. These results indicate that Diospyros kaki leaves could be considered as attractive source of health-promoting ingredients and a promising plant for the development of new functional foods and pharmaceutical products.