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Potential Mechanism of Cuscuta epithymum in Effecting Breast Cancer: A Network Pharmacology and Molecular Docking Analysis
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Eisa Kaveh Vernousfaderani   , Golrokh Farnam , Farshad H. Shirazi |
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Abstract: (280 Views) |
Introduction: Breast cancer (BC) is the most prevalent cancer in women, with a mortality rate of 15%, as reported by the National Cancer Institute in 2022. Cuscuta epithymum (CE), a parasitic genus in the Convolvulaceae family, has historical use in Iranian Traditional Medicine for anti-malignancy and neural disorder treatment.
Methods and Materials: First of all, we have done a literature review in Google Scholar and PubMed from 2000 to 2023 to find phytochemicals found in CE. Then utilized Pubchem, Binding DB, GeneCards, Way2Drug, DAVID, and DisGeNET to find these compounds (CEC) targets associated with BC. The GeneMANIA and String database allowed us to investigate Gene-Gene and Protein-Protein interactions of BC-related genes and proteins respectively, under the effect of CEC. Cytoscape 3.10.0 depicted the network of data. The Crystallographic structure of proteins obtained from RCSB Protein Data Bank and optimized with Chimera 1.17.1. PyRx conducted the in-silico study based on Autodock Vina 4.2. The Biovia Discovery Studio 4.5 illustrated docking results.
Results: According to network pharmacology, AR (Androgen Receptor) and CYP19A1 (Aromatase) are the most influential targets with CEC. Due to the KEGG pathway, EGFR tyrosine kinase inhibitor resistance and the Estrogen signaling pathway are the most applicable pathways that CEC can affect. In addition, estimations demonstrated that they are more effective against the HT29 cell line. The affinity of kaempferol-3-O-galactoside to PTGS2 with releasing the energy of 11.1 Kcal/mol is the highest affinity of CEC to BC targets.
Conclusion: Recent research has demonstrated that CE can reduce the growth of BC cell lines by via inducing apoptosis and suppression of migration. Moreover, additional study validates our finding on CEC activities on viability of a BC cell line. Considering the results and the most recent study, CECs appears to be potent agents against Breast Cancer with various pathways, especially estrogen related ones.
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| Keywords: Breast Cancer, Cuscuta epithymum, Network Pharmacology, Molecular Docking |
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Full-Text [PDF 263 kb]
(43 Downloads)
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Type of Study: Research |
Subject:
General
Received: 2024/01/11 | Accepted: 2023/08/23 | Published: 2023/08/23
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