In-vitro and in-silico evaluation of apoptosis inducing anticancer potential of Mammea suriga (Buch.-Ham. ex Roxb.) Kosterm bioactive compounds against human breast cancer cells

Breast cancer remains a leading cause of cancer-related mortality among women worldwide, necessitating the exploration of alternative therapeutic sources. In this study, the integrated experimental and computational investigation of bioactive compounds derived from the indigenous medicinal tree Mammea suriga to evaluate their potential relevance in breast cancer. Leaf extracts and fractions were subjected to phytochemical screening, antioxidant assays, and cytotoxic evaluation against human breast cancer (MCF-7) and normal keratinocyte (HaCaT) cell lines. Ethyl acetate extract (MSEAE) and butanol fraction (MSBF) exhibited concentration-dependent antioxidant activity and selective cytotoxicity towards MCF-7 cells compared to HaCaT cells. GC–MS analysis identified major phytocompounds, including catechol, caryophyllene, stigmasterol, and n-hexadecanoic acid. A significant result of cytotoxicity on MCF-7 (IC₅₀ MSEAE=10.2 µg/mL, MSBF=15.54 µg/mL) and HaCaT (IC₅₀ MSEAE=35.02 µg/mL, MSBF=44.10 µg/mL) cell lines were noticed. To gain mechanistic insight, these compounds were further evaluated using molecular docking against key proteins of the PI3K/AKT/mTOR signaling pathway implicated in breast cancer progression. Docking results revealed favorable binding interactions of the identified compounds with apoptosis-related molecular targets, suggesting their potential involvement in apoptosis-associated pathways. Collectively, this study provides the first combined in vitro and in silico evidence supporting M. suriga leaf-derived bioactive compounds as candidates for further investigation in breast cancer research.