Simultaneous Screening and Analysis of Anti-inflammatory and Antiproliferative Compounds from Euphorbia maculata Combining Bio-affinity Ultrafiltration with Multiple Drug Targets

Euphorbia maculata has long been used for managing different impairments in Asian countries. However, its antioxidant, anti-inflammatory and antiproliferative potentialities, along with its potential bioactive compounds remain unexplored. In this context, a bio-affinity ultrafiltration strategy was developed to fish out ligand candidates against Cycloxygenase-2 (COX-2), Topoisomerase I (Topo I), and Topoisomerase II (Topo II). Thereafter, lead compounds activities were assessed in silico and in vitro for ascertaining the screening results and forecasting its corresponding activities. As a result, the E. maculata ethyl acetate (EMEA) fraction showed interesting COX-2 inhibition activity with an IC50 value of 0.67 +/- 0.09 mu g/mL, as well as good growth inhibitions for three malignant cell lines. EMEA chemical fingerprinting was also conducted to enable a tentative identification of 17 compounds, among which, 11 were assessed as ligand candidates to COX-2, 8 compounds to Topo I, and 10 compounds to Topo II. Dihydromyricetin and quercetin-3-O-arabinoside were revealed to be multipotent compounds which exerted good affinity to the three targeted enzymes, and also supported with their molecular docking simulations and in vitro assay validations. The interrelationship between E. maculata's associated activities (antioxidant, anti-inflammatory and antiproliferative) was revealed with the corresponding multipotent phytochemical active components from this work. It also provided a useful direction for its empirical traditional use and further explorations in the near future.

Automated summary

In this study, a bio-affinity ultrafiltration strategy was used to identify ligand candidates against COX-2, Topo I, and Topo II in E. maculata ethyl acetate fraction. The fraction showed interesting COX-2 inhibition activity and good growth inhibitions for three malignant cell lines. Chemical fingerprinting revealed the presence of multiple compounds with affinity to the targeted enzymes. Dihydromyricetin and quercetin-3-O-arabinoside were identified as multipotent compounds with affinity to all three enzymes. The study provides insights into the interrelationship between E. maculata's associated activities and its phytochemical components, suggesting further research and utilization prospects for E. maculata.