Events9th International Electronic Conference on Medicinal Chemistry
Published
with-doi10.3390/ECMC2023-15670 (registering DOI)
This submission belongs to the session S4. New Small molecules as drug candidates of the event 9th International Electronic Conference on Medicinal Chemistry
Published date
01 Nov, 2023
Academic Editor
author-avatarAlfredo Berzal-Herranz
Citation
xiaoyu liao, Xinhui Pan, Ke Yang, Xiaoda Yang, Network pharmacology predicts potential mechanisms of 18β-glycyrrhetinic acid against triple-negative breast cancer, in Proceedings of 9th International Electronic Conference on Medicinal Chemistry, 1 November–30 November 2023, MDPI: Basel, Switzerland, doi: 10.3390/ECMC2023-15670
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Network pharmacology predicts potential mechanisms of 18β-glycyrrhetinic acid against triple-negative breast cancer

1. Laboratory of Xinjiang Phytomedicine Resource and Utilization, Ministry of Education, School of Pharmaceutical Sciences, Shihezi University, Shihezi, 832002, China
2. Laboratory of Xinjiang Phytomedicine Resource and Utilization, Ministry of Education, School of Pharmacy, Shihezi University, North Second Road, Shihezi, 832002, China
3. Stake Key Laboratory of Natural and Biomimetic Drugs, Department of Chemical Biology, School of Pharmaceutical Sciences, Peking University, Xueyuan Road 38, Beijing, 100191
4. Stake Key Laboratory of Natural and Biomimetic Drugs, Department of Chemical Biology, School of Pharmaceutical Sciences, Peking University, Beijing, 100191
Abstract

Triple-negative breast cancer(TNBC) with immunohistochemical results negative for estrogen receptor, progesterone receptor and the proto-oncogene Her-2 is the prominent malignant subtype of breast cancer, and targeted therapeutic agents acting on it still need to be investigated for addition. It is well known that natural products with a variety of pharmacological activities can be developed as potential antitumor agents. Among them, pentacyclic triterpenoid 18β-glycyrrhetinic acid(18β-GA) is widely recognized to have a wide range of pharmacological effects such as anti-inflammatory, antibacterial, antitumor and antivirus. In this paper, we showed the potential targets and mechanisms of 18β-GA against TNBC through network pharmacology and molecular docking. Initially, network analysis revealed 85 common targets of 18β-GA in TNBC as shown in the “compound-target-disease” network employing Cytoscape 3.9.1 Further analysis identified TNF, IL-6, MMP9, ALB, PPARG, IGF-1, ESR1, STAT1, CCNA2 and PLK1 as the most crucial hub targets of 18β-GA against TNBC. Moreover, molecular docking simulations and functional enrichment analysis indicated the involvement of multiple signaling pathways in suppressing TNBC.

Keywords
18β-glycyrrhetinic acid
Triple-negative breast cancer
network pharmacology
Manuscript
Poster
Network pharmacology predicts potential mechanisms of 18β-glycyrrhetinic acid against triple-negative breast cancer.pdf
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