Optimized Extraction of Polyphenols from Unconventional Edible Plants: LC-MS/MS Profiling of Polyphenols, Biological Functions, Molecular Docking, and Pharmacokinetics Study

Abstract

Plant bioactive phenolic metabolites have recently attracted the attention of researchers due to their numerous health advantages. Therefore, this study aimed to investigate with advanced techniques the bioactive metabolites and antioxidant and antidiabetic capacity of four unconventional edible plant leaves: lemongrass (Cymbopogon citratus (DC.) Stapf), chicory (Cichorium intybus L.), moringa (Moringa oleifera Lam.), and ryegrass (Lolium perenne L.). The extraction process was optimized using different solvents. These plants’ phenolic composition, identification, and characterization have been determined herein using LCESI-QTOF-MS/MS. This research identified 85 phenolic compounds, including 24 phenolic acids, 31 flavonoids, 7 stilbenes and lignans, and 17 other metabolites. Moreover, the study determined that moringa has the highest total phenolic content (TPC; 18.5 ± 1.01 mg GAE/g), whereas ryegrass has the lowest (3.54 ± 0.08 mg GAE/g) among the selected plants. It seems that, compared to other plants, moringa was found to have the highest antioxidant potential and antidiabetic potential. In addition, twenty-two phenolic compounds were quantified in these chosen edible plants. Rosmarinic acid, chlorogenic acid, chicoric acid, ferulic acid, protocatechuic acid, and caffeic acid were the most abundant phenolic acids. In silico molecular docking was also conducted to investigate the structure–function relationship of phenolic compounds to inhibit the alpha-glucosidase. Finally, the simulated pharmacokinetic characteristics of the most common substances were also predicted. In short, this investigation opens the way for further study into these plants’ pharmaceutical and dietary potential.

Multifunctional in vitro, in silico and DFT analyses on antimicrobial BagremycinA biosynthesized by Micromonospora chokoriensis CR3 from Hieracium canadense

“…Nonetheless, BagA passed the lead-likeness test with a synthetic accessibility score of 2.06. The current ADME results can be compared with the study of Kiani et al 105 for p-coumaric acid, as no study has been done on BagA for ADME analysis. Overall, the findings indicate that BagA is a highly promising candidate to be developed into a therapeutic drug.…”

Screening and Characterization of Phenolic Compounds from Selected Unripe Fruits and Their Antioxidant Potential

“…The ABTS assay was carried out using the procedures outlined by Kiani et al [ 65 ]. A mixture of 7 mM ABTS solution and 140 mM potassium persulfate solution was incubated for 16 h in the dark to create an ABTS + solution.…”

“…A triplicate DPPH assay was conducted for every sample using the modified protocol outlined by Kiani et al [ 65 ]. To begin, a 96-well plate technique was used to combine 25 µL sample extracts with 275 µL of DPPH dye (0.1 M) in methanol.…”

LC-ESI-QTOF-MS/MS Identification and Characterization of Phenolic Compounds from Leaves of Australian Myrtles and Their Antioxidant Activities

“…The standard curve against 0-50μg/ml ascorbic acid in water was constructed to measure each sample's antioxidant capacity. The results are given as milligram ascorbic acid equivalents (mg AAE/g) for every gram of dry weight of the samples following Kiani et al [86].…”

“…To create a standard curve, ascorbic acid concentrations between 0 and 300μg/ml were employed. Data were then given in mg AAE/g following the method of Kiani et al [86].…”