Characterization, Electrochemical Detection, Biological Evaluation and Molecular Modelling of 1,5-Di-O-caffeoylquinic Acid from Artichoke (Cynara scolymus L.) Head Extract

In this work, the separation and purification of 1,5-Di-O-caffeoylquinic acid (1,5 DCQA) was carried out via column chromatography (ethyl acetate/n-hexane with volume ratio 20/80) from Artichoke (Cynara scolymus L.) head ethanolic extract and characterized with IR, LC/MS, and UV/visible. The electrochemical approach has been used to analyze and detect electroactive compounds in ethanolic extract. Differential pulse voltammetry results indicated that a bioactive and electroactive molecule (1,5-Di-O-caffeoylquinic acid) is the major constituent in the Artichoke ethanolic extract. The analytical parameters are calculated via calibration curve and obtained 7.8 mu M and 9.0 mu M-1.8 mM for LOD and linear range, respectively. The theoretical and experimental biological assessment has been carried out with molecular docking, 2,2-diphenyl-1-picrylhydrazyl (DPPH), and in vitro antibacterial susceptibility assay. The adsorption peak of DPPH is thoroughly deleted after the addition of Artichoke extract; therefore, its antioxidant activity is achieved approximately 100%. The inhibition zone surrounding the wells indicated that relevant extract has inhibitory function against E. coli (19 mm), S. enterica (21 mm), B. cereus (20 mm), and S. aureus (17 mm) bacterial. The binding affinity values showed that 1,5 DCQA has an inhibitory effect against ROS generation enzymes and bacterial enzymes.

Automated summary

In this study, 1,5-Di-O-caffeoylquinic acid (1,5 DCQA) was separated and purified from Artichoke head extract using column chromatography and characterized using various analytical methods. The bioactive and electroactive nature of 1,5 DCQA in the extract was confirmed through electrochemical analysis. The compound showed inhibitory effects against ROS generation enzymes and bacterial enzymes, as observed through biological assessment methods.