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

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 allow...

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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
Antioxidants
Apoptosis
Biochemistry
bioinformatics
Breast cancer
breast neoplasms
Cancer therapies
Chemotherapy
computer simulation
Cytotoxicity
Eriobotrya japonica
Fruits
humans
inducible nitric oxide synthase
Liquid chromatography
Medical research
Medicine
metabolite
Metabolites
Molecular docking
Natural products
network pharmacology
Nitric oxide
Nitric-oxide synthase
Nutrition
Pharmacology
Pharmacy
Radiation
Receptors (physiology)
Scavenging
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container_title CYTA: journal of food
container_volume 22
creator 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
description 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.
doi_str_mv 10.1080/19476337.2024.2427242
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subjects Adrenergic receptors
anticancer
Antioxidants
Apoptosis
Biochemistry
bioinformatics
Breast cancer
breast neoplasms
Cancer therapies
Chemotherapy
computer simulation
Cytotoxicity
Eriobotrya japonica
Fruits
humans
inducible nitric oxide synthase
Liquid chromatography
Medical research
Medicine
metabolite
Metabolites
Molecular docking
Natural products
network pharmacology
Nitric oxide
Nitric-oxide synthase
Nutrition
Pharmacology
Pharmacy
Radiation
Receptors (physiology)
Scavenging
title Anti-proliferating and antioxidant properties of Eriobotrya japonica fruit in human breast cancer cells combined with in silico study
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