Potensi ekstrak akar archangelisia flava untuk pengobatan kanker payudara: Profil metabolit, analisis jaringan farmakologi, dan validasi in silico dan in vitro

Mutiah, Roihatul ORCID: https://orcid.org/0000-0002-8196-9029, Suryadinata, Arief and Firdausy, Alif Firman ORCID: https://orcid.org/0000-0001-7373-0336 (2024) Potensi ekstrak akar archangelisia flava untuk pengobatan kanker payudara: Profil metabolit, analisis jaringan farmakologi, dan validasi in silico dan in vitro. Research Report. UIN Maulana Malik Ibrahim Malang. (Unpublished)

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Abstract

Chemotherapy-based treatments for breast cancer often come with side effects and can lead to drug resistance. While Arcangelisia flava root extract (AFRE) has shown promise as an anti-cancer agent, there is still limited understanding of the specific compounds it contains and the mechanisms through which it inhibits breast cancer. This study aims to identify potential compounds in AFRE and shed light on its actions against breast cancer.

Identification of compounds in AFRE was confirmed using Liquid Chromatography Tandem Mass Spectrophotometry (LC-MS/MS). The absorption and bioavailability profiles of the phytochemical were assessed using ADMET software. Predictions about the molecular anti-cancer mechanisms of these compounds were made using a network pharmacology approach that involved tools such as Cytoscape 3.9.1, GeneCards, Disgenet, STRING 2.0.0, Gene Ontology (GO), Kyoto Encyclopedia of Genes and Genomes (KEGG) pathways, and SRplot. The interaction between oxoberberine and critical receptors in breast cancer, namely PI3KCA, TP53, BCL2, CDK1, EGFR, and MAPK14, was analyzed through site-specific molecular docking, utilizing PyRx Autodock Vina 9.0 and Biovia Discovery Studio. Cytotoxicity assessments were conducted on T47D cells using the MTT method. Additionally, the potential to inhibit the cell cycle and induce apoptosis in T47D cells was evaluated using flow cytometry.

A total of 16 active compounds were identified through LC-MS/MS, with oxoberberine being the most abundant at 41.43%. Importantly, it exhibited anti-cancer properties by interacting with 84 genes and affecting 13 signaling pathways related to breast cancer. Molecular docking results supported the network pharmacology findings, indicating that oxoberberine had a stronger negative binding affinity with PI3KCA, TP53, BCL2, CDK1, EGFR, and MAPK14 compared to the native ligand. In vitro validation further substantiated these findings, showing that AFRE treatment led to a higher percentage of T47D cell death (36.6%) compared to the control and doxorubicin, along with inducing cell accumulation in the G1 phase. In summary, this evidence highlights the potent anti-cancer effects of oxoberberine in AFRE against breast cancer.

Item Type:	Research (Research Report)
Keywords:	bcl2, cdk1, egfr, pi3kca, t47d
Subjects:	11 MEDICAL AND HEALTH SCIENCES > 1115 Pharmacology and Pharmaceutical Sciences > 111504 Pharmaceutical Sciences 11 MEDICAL AND HEALTH SCIENCES > 1115 Pharmacology and Pharmaceutical Sciences
Divisions:	Faculty of Medical and Health Sciences > Department of Pharmacy
Depositing User:	Arief Suryadinta
Date Deposited:	30 Dec 2024 15:00

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