Abstract
Pithecellobium dulce represent a valuable source of biologically active phytoconstituents. This study aimed to screen the methanolic extract for its different phytochemical classes, isolate the active principles from the ethyl acetate fraction, and conduct phenolic profiling using the HPLC-DAD technique. Additionally, the antioxidant, wound-healing, and cytotoxic activities were assessed in vitro. The molecular modelling (docking) studies are performed for the investigation of cervical and breast cancer cytotoxic activities for some isolated compounds. The extract phytochemical screening revealed the presence of flavonoids, alkaloids, anthraquinones, terpenes, sterols, tannins, saponins, carbohydrates, and reducing sugars. Kaempferol-3-O-rhamnoside (Afzelin) (1), fisetin 3-O-rhamnoside (2), and alangilignoside D (3) were isolated and identified from the ethyl acetate fraction using LC-MS, (1)H and (13)C NMR analysis. The methanolic extract showed total phenolics, flavonoids, tannins, and alkaloids of 51.44 mg GAE/g extract, 49.48 mg RE/g extract, 145.5 mg CE/g extract, and 18.62%, respectively. HPLC-DAD analysis enabled identifying and quantifying 13 phenolic acids and 7 flavonoids. The extract's antioxidant activity was assessed using DPPH and ORAC assays, revealing an IC(50) of 239.5 ± 8.42 µg/ml and 575.94 ± 11.30 µM TE, respectively. The extract achieved a wound closure % of 78.78 after 72 h. The cytotoxic activity was assessed against 4 cancer lines using the MTT assay, which revealed significant cytotoxic activity against the HeLa cell line, using cisplatin as a reference drug. The present investigation dealt with molecular modelling (docking) of the potent compounds showing their anticancer activities targeting cervical carcinoma HeLa cell line and breast cancer cell line MCF-7 for BCL-2 XL and EGFR. Consequently, P. dulce can be considered an effective natural antioxidant and cytotoxic agent.