Anti-proliferating and antioxidant properties of Eriobotrya japonica fruit in human breast cancer cells combined with in silico study

• Published in: CYTA: journal of food 2024-12, Vol.22 (1)
• Main Authors: Arnamalia, Astri, Wiyarta, Elvan, Surya, Reggie, Alisaputra, Darmawan, Astuti Taslim, Nurpudji, Permatasari, Happy Kurnia, Tallei, Trina Ekawati, Ribeiro, Rosy Iara Maciel Azambuja, Tsopmo, Apollinaire, Kim, Bonglee, Nurkolis, Fahrul, Syahputra, Rony Abdi
• Format: Article
• Language: English
• Subjects: Adrenergic receptors; anticancer; Apoptosis; Breast cancer; Cytotoxicity; Eriobotrya japonica; Fruits; Liquid chromatography; metabolite; Metabolites; Molecular docking; network pharmacology; Nitric oxide; Nitric-oxide synthase; Pharmacology; Receptors (physiology); Scavenging
• ISSN: 1947-6337; 1947-6345
• DOI: 10.1080/19476337.2024.2427242

This study aimed to identify compounds in the fruits of the medicinal Eriobotrya japonica L, determine anti-apoptotic properties in human breast cancer cells and predict the mechanism via docking and bioinformatic analyses. HPLC-ESI-HRMS/MS metabolite profiling of E. japonica ethanolic extract allowed the identification of eight compounds. Subsequent network pharmacology and molecular docking simulations targeting key cancer-related proteins showed excellent predictive activity (Pa > 0.71) for seven of the compounds. Two of the compounds hyperoxide (C6) and afzelin (C8) showed strong affinities with inducible nitric oxide synthase (iNOS) and beta-1 adrenergic receptor-β (ADRB1) with ΔG of −11.5 and −12.1, respectively. Radical scavenging data showed compound C8 (EC 50 89.1 µg/mL, ABTS+*; 96.1 µg/mL, DPPH) was the most active in relation to other compounds and the extract (EC 50 115.5 µg/mL, ABTS+*; 101.5 µg/mL, DPPH). The cytotoxicity (LD 50 ) was 96.1-178.9 µg/mL) for cancerous MCF-7 cells compared to 1,105-2,066 µg/mL for normal MCF-10A cells.