Phenolic Compounds of Phlomis tuberosa by LC–MS/MS‐Determination of Antioxidant Activity, Molecular Docking, and Enzyme Inhibition Profiles

Abstract

AbstractPhlomis species have traditionally been employed for the treatment of a number of ailments such as influenza, the common cold, asthma, bronchitis, coughs, hemorrhoids, ulcers, and gastrointestinal disorders. The goal of this study is to compare the anti‐diabetic, anti‐glaucoma, and anti‐Alzheimer's properties and antioxidant activities of methanol (MEPT) and aqueous (WEPT) extracts from the aerial part of P. tuberosa L. Tandem mass spectrometry and liquid chromatography (LC–MS/MS) were used to investigate the compounds of MEPT and WEPT. The inhibitory effects of MEPT and WEPT on the enzymes acetylcholinesterase (AChE), carbonic anhydrase II (CA II) and α‐glycosidase were investigated and molecular docking studies demonstrated binding interactions between the major compounds chlorogenic acid, cyanidin‐3‐O‐glycoside, quinic acid, rosmarinic acid with AChE, CA II and α‐glycosidase enzymes. In addition to that, the total content of phenols and flavonoids was analyzed. Furthermore, the antioxidant activity was evaluated by DPPH, ABTS, DMPD, ferrous ions (Fe2+) chelating, FRAP, CUPRAC, and ferric ions (Fe3+) reducing methods. This study is the first of its kind to show that MEPT and WEPT possess inhibitory effects on AChE, CA II and α‐glycosidase, as well as displaying antioxidant properties.