A Comparative Study for Nutritional and Phytochemical Profiling of Coffea arabica (C. arabica) from Different Origins and Their Antioxidant Potential and Molecular Docking

Coffee is the most widely used beverage globally and contains many bioactive compounds, including phenolic compounds, alkaloids, triterpenes, organic acids, amino acids, hormones, and fatty acids. The main objective of this study was the comparative profiling of Australian, Colombian, Ethiopian, and Peruvian C. arabica using LC-ESI-QTOF-MS/MS. In this study, we tentatively identified 136 bioactive metabolites, including five (05) organic acids, six (06) alkaloids, three (03) amino acids (l-phenylalanine, l-tyrosine, and l-pyroglutamic acid), two (02) hormones (melatonin and serotonin), two fatty acids, one (01) furopyrans (goniothalenol), one (01) carotenoid (crocetin), three (03) terpenoids, thirty-eight (38) phenolic acids, forty-one (41) flavonoids, five (05) stilbenes, three (03) lignans and twenty-three (23) other polyphenols in C. arabica. The highest TPC value (17.74 ± 0.32 mg GAE/g) was measured in Colombian coffee while the lowest TPC value (10.24 ± 0.73 mg GAE/g) was in Peruvian coffee. Colombian coffee has a higher antioxidant potential than other studied coffee samples. A total of nineteen phenolic metabolites were mapped through LC-MS/MS. Quinic acid derivatives were quantified in higher concentrations than other metabolites. Furthermore, molecular docking predicted that chlorogenic acid is a main bioactive compound that contributes to anti-Alzheimer and anti-diabetic activities of C. arabica. The obtained results indicate that C. arabica contains a vast number of bioactive compounds which have potential health benefits. Furthermore, research could be conducted to validate the effect of these metabolites on the flavor profile of coffee beverages.