Centrifugal partition chromatography fractionation of Indonesian Premna corymbosa, biological activities, and its molecular docking
摘要
Fractionation of phytochemicals from Premna corymbosa was conducted through the Centrifugal Partition Chromatography (CPC) technique. CPC successfully separated the active phytochemicals along with their corresponding pharmacological activities. Unsupervised multivariate analysis generated from UHPLC-HRMS profiles clustered the compounds in the fractions (F1-F6). Flavonoid glycoside and bagremycin B were abundantly found in F6, which might contribute to its antioxidant activity. F2 contains abundantly 6-methylquinolone, 4-methoxycinnamic acid, harmine, and 6-gingerol, which may be associated with antidiabetic activity. Shogaol and sorbitol were found in high concentrations in F1, which may be linked to the activity of elastase inhibitors. Meanwhile, F3 which contains a high concentration in ursolic acid and docosanamide, was found to be active against four pathogenic bacteria including Escherichia coli. The antidiabetic activity of P. corymbosa fractions showed high inhibition, reaching 76.69 ± 0.90%. Further studies on the prediction of DPP-4 enzyme as an antidiabetic agent were conducted using molecular docking for related compounds in P. corymbosa. Ursolic acid exhibited the highest binding affinity due to its amphiphilic characteristics, which allow it to interact strongly with the active site of the DPP4 enzyme. These findings present the CPC technique could selectively separate of health-promoting compounds from P. corymbosa, which has potential applications in the pharmaceutical and nutraceutical industries.