Chemical profiling and in silico evaluation of a Matricaria chamomilla L. extract: exploring its antioxidant, antibacterial, antidiabetic, anti-inflammatory, and anticholinergic activities

Introduction – This study aimed to investigate the phytochemical composition and multifunctional therapeutic potential of a hydroethanolic extract of Matricaria chamomilla L. collected from the semi-arid region of Algeria. The research focused on evaluating its antioxidant, antimicrobial, antidiabetic, anti-inflammatory, neuroprotective, and potential anticancer activities. Methods – Total polyphenol and flavonoid contents were determined using spectrophotometric methods. The phytochemical profile was characterized by Liquid Chromatography–Tandem Mass Spectrometry (LC-MS/MS). Antioxidant activity was assessed using DPPH and galvinoxyl radical scavenging assays. Antimicrobial activity was evaluated against bacterial and fungal strains using inhibition zone measurements. Enzyme inhibitory activities against α-amylase, acetylcholinesterase, and butyrylcholinesterase were investigated in vitro. Anti-inflammatory activity was evaluated through protein denaturation inhibition and carrageenan-induced paw edema assays. Molecular docking studies were performed to assess the interactions of identified compounds with breast cancer targets ERα and HER2. Results – The extract contained high levels of total polyphenols (41.9 mg gallic acid equivalent/g extract) and flavonoids (17.1 mg rutin equivalent/g extract). LC-MS/MS analysis identified several bioactive compounds, including caffeic acid, gallocatechin gallate, and apigenin-7-O-glucoside. The extract exhibited moderate antioxidant activity, with IC50 values of 324.4 μg/mL and 22.7 μg/mL for DPPH and galvinoxyl assays, respectively. Strong antimicrobial effects were observed against Staphylococcus aureus (22 mm inhibition zone) and Candida albicans (18 mm inhibition zone). The extract also demonstrated potent inhibitory activities against α-amylase (IC₅₀ = 440.6 μg/mL), acetylcholinesterase (IC₅₀ = 3.11 μg/mL), and butyrylcholinesterase (IC₅₀ = 28.7 μg/mL), surpassing standard inhibitors. In vitro anti-inflammatory activity reached 98.4% inhibition of protein denaturation at 2000 μg/mL, while in vivo edema inhibition reached 38.81%. Molecular docking revealed strong binding affinities of α-tocopherol and apigenin-7-O-glucoside toward ERα and HER2 receptors. Discussion – The findings demonstrate that Matricaria chamomilla L. possesses significant pharmacological potential due to its rich phytochemical composition and broad-spectrum biological activities. The observed antioxidant, antimicrobial, enzyme inhibitory, anti-inflammatory, and molecular docking results suggest that this plant could serve as a promising natural source for the development of therapeutic agents targeting diabetes, neurodegenerative disorders, microbial infections, and breast cancer. Further pharmacological and clinical investigations are warranted to validate these bioactivities and support future drug development applications.