Mechanism of Hedysarum Multijugum Maxim. in Treatment of Bladder Cancer Based on Network Pharmacology and Molecular Docking Technology

Hong Tian; Yunchen Zhang; Yang Hu; Chong Yun Xuan; Liquan Sun; Hao Gu

doi:10.26689/par.v9i6.13003

Hong Tian School of Life Science, Beijing Institute of Technology, Beijing 100081, China
Yunchen Zhang XUTELI School, Beijing Institute of Technology, Beijing 100081, China
Yang Hu XUTELI School, Beijing Institute of Technology, Beijing 100081, China
Chong Yun Xuan School of Computer Science & Technology, Beijing Institute of Technology, Beijing 100081, China
Liquan Sun School of Life Science, Beijing Institute of Technology, Beijing 100081, China
Hao Gu School of Life Science, Beijing Institute of Technology, Beijing 100081, China

DOI: https://doi.org/10.26689/par.v9i6.13003

Keywords: Network pharmacology, Molecular docking, HMM, BC, Targets

Abstract

To investigate the targets and mechanism of Hedysarum Multijugum Maxim (HMM) in treatment of bladder cancer (BC). Based on Traditional Chinese Medicine Systems Pharmacology (TCMSP) and gene databases, active substances and potential targets of HMM were screened, and the HMM-active substances-targets-BC (HATB) regulatory network and PPI network were constructed. Hub targets were screened by Cytoscape. The main active substances and Hub targets were molecularly docked with AutoDock and visualized by PyMOL. 12 Hub targets were screened. Molecular docking showed that active substances mainly acted on MAPK14, MAPK1 and CCND1. The bindings of calycosin to MAPK14, formononetin to MAPK14, and calycosin to CCND1 were stable.

References

Dobruch J, Oszczudłowski M, 2021, Bladder Cancer: Current Challenges and Future Directions. Medicina, 57(8): 749.

Huang C, Zheng C, Li Y, et al., 2014, Systems Pharmacology in Drug Discovery and Therapeutic Insight for Herbal Medicines. Briefings in Bioinformatics, 15(5): 710–733.

Zhu Y, Li G, Sun W, et al., 2023, Huangqi (Radix Astragali) Inhibits the Migration and Invasion of Bladder Cancer Through the Janus Kinase/Signal Transduction and Transcription Activation Factor Signaling Pathway Inhibited by MicroRNA-133A. Anhui Medicine, 27(1): 55–59 + 217.

Tongfu K, Yin X, Zhang Z, et al., 2023, Inhibitory Effect of Astragaloside Ⅱ on the Growth of Renal Clear Cell Carcinoma Cell and Its Mechanism. Journal of Shandong University (Medical Edition), 61(1): 10–16.

Liu F, Pan Q, Wang L, et al., 2020, Bioinformatic and Experimental Findings to Indicate Anti-Cancer Targets and Mechanisms of Calycosin Against Nasopharyngeal Carcinoma. Research Square, 1–14.

Zhang X, Liang M, Huang W, et al., 2015, Effects of Formononetin on Apoptosis of Bladder Cancer Cells. China Public Health, 31(3): 314–317.

Kudaravalli S, Hollander P, Mani S, 2022, Role of p38 MAP Kinase in Cancer Stem Cells and Metastasis. Oncogene, 41(23): 3177–3185.

Yuan L, 2011, Study on CCND1 Gene Polymorphism and Genetic Susceptibility of Bladder Cancer in China Han Population. Nanjing Medical University, 2011.

Chen X, Wang P, Wang S, et al., 2019, CIZ1 Knockdown Suppresses the Proliferation of Bladder Cancer Cells by Inducing Apoptosis. Gene, 719: 143946.

Watters A, Latif Z, Forsyth A, et al., 2002, Genetic Aberrations of c-myc and CCND1 in the Development of Invasive Bladder Cancer. British Journal of Cancer, 87(6): 654–658.