A new hybrid compound of chalcone-salicylate (title compound) has been successfully synthesized using a linker mode approach under reflux condition. The structure of the title compound has been established by spectroscopic analysis including UV-Vis, FT-IR, HRMS, 1D, and 2D NMR. Then, computational approach was also applied in this study through molecular docking and MD simulation to explore its potency against breast cancer. The results of the molecular docking study showed that the title compound exhibited more negative value of binding free energy (−8.15 kcal/mol) than tamoxifen (−7.00 kcal/mol). In addition, no striking change in the positioning of the interacting residues was recorded before and after the MD simulations. Based on the studies, it can be predicted that the title compound has a cytotoxic activity potency against breast cancer through ERα inhibition and it presumably can be developed as anticancer agent candidate.

Tabat Barito (Ficus deltoidea) is known as a plant that has potency as an antioxidant because containing a significant phenolic compound. In this study, we performed metabolite profiling on F. deltoidea leaves by UPLC-QTOF-MS/MS to identify its phenolic compounds. Extraction by maceration and ultrasonication techniques with methanol (MM and UM) and ethanol (ME and UE) were used to extract the F. deltoidea metabolites. About 70 metabolites were identified by using UPLC-QTOF-MS/MS in negative ion mode. The amounts of metabolites found in each extract were different, i.e., 45 metabolites in MM, 64 metabolites in UM, 42 metabolites in UE and 41 metabolites in ME. MS/MS could further tentatively identify 16 metabolites. The identified compounds belonged to the class of flavonoids and phenolic acid. Also, we conducted an antioxidant activity by using DPPH method on each extract to determine its potency as an antioxidant. The highest antioxidant activity was exhibited by UM extract (IC50 71.93 ppm) may be due to the number of metabolites in UM extract which was higher than the other extract based on the detected metabolites.