Mechanism of Dahuang Mudan Decotion in the treatment of colorectal cancer based on network pharmacology and experimental validation

被引：4

作者：

Li, Xinghua ^{[1
]}

Liu, Xinyue ^{[1
,2
]}

Yang, Fan ^{[1
]}

Meng, Tianwei ^{[3
]}

Li, Xiang ^{[1
]}

Yan, Yan ^{[2
]}

Xiao, Keyuan ^{[1
]}

机构：

[1] Changzhi Peoples Hosp, Affiliated Changzhi Med Coll, Affiliated Hosp, Dept Oncol, Changzhi 046000, Peoples R China

[2] Shanxi Med Univ, Shanxi Prov People Hosp, Gynecol Dept, Taiyuan 030001, Peoples R China

[3] Heilongjiang Univ Chinese Med, Harbin 150040, Peoples R China

来源：

HELIYON | 2024年 / 10卷 / 11期

关键词：

Dahuang Mudan Decotion; Colorectal cancer; Network pharmacology; Molecular docking; Traditional Chinese medicine; INHIBITORS;

D O I：

10.1016/j.heliyon.2024.e32136

中图分类号：

O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];

学科分类号：

07 ; 0710 ; 09 ;

摘要：

Objective: The objective of this study was to assess the pharmacological activity and therapeutic mechanism of Dahuang Mudan Decotion (DHMDD) for colorectal cancer using ultra-performance liquid chromatography tandem mass spectrometry (UPLC-MS), network pharmacology and in vitro experiments. Methods: The chemical components of DHMDD were identified by UPLC-MS. Network pharmacological analysis was utilized to screen the active ingredients and targets associated with DHMDD for colorectal cancer. Based on the results of network pharmacology, the potential mechanism of DHMDD on colorectal cancer predicted was experimentally studied and verified in vitro. Results: DHMDD primarily exerts its effects on colorectal cancer through 52 active ingredients. AKT1, ESR1, HSP90AA1, JUN, PIK3CA, PIK3CB, PIK3R1, SRC, STAT3, TP53 were the top 10 targets. The top 10 ingredient nodes were Quercetin, Physcione, Pontigenin, Crysophanol, Linolenic acid, Piceatannol, Adenosine, Emodin, Sambunigrin, and Prunasin. The main compounds and the target proteins exhibited strong binding ability in molecular docking studies. The results of cell experiments demonstrated that DHMDD can inhibit the proliferation, invasion and migration of CRC cells through the PI3K/Akt pathway. Conclusion: Through network pharmacology analysis and cell experiments, this study suggests that DHMDD can exert its therapeutic effects on colorectal cancer through a combination of multiple components and targets.

引用

页数：11

共 43 条

[1] Chemosensitization of HT29 and HT29-5FU Cell Lines by a Combination of a Multi-Tyrosine Kinase Inhibitor and 5FU Downregulates ABCC1 and Inhibits PIK3CA in Light of Their Importance in Saudi Colorectal Cancer [J].

Abdalla, Ashraf N. ;

Malki, Waleed H. ;

Qattan, Amal ;

Shahid, Imran ;

Hossain, Mohammad Akbar ;

Ahmed, Muhammad .

MOLECULES, 2021, 26 (02)

[2]

Amberger Joanna S, 2017, Curr Protoc Bioinformatics, V58, DOI 10.1002/cpbi.27

[3]

Burley SK, 2017, METHODS MOL BIOL, V1606, P627, DOI 10.1007/978-1-4939-7000-1_26

[4]

[代继源 Dai Jiyuan], 2020, [中国免疫学杂志, Chinese Journal of Immunology], V36, P1688

[5] Anti-colorectal cancer of Ardisia gigantifolia Stapf. and targets prediction via network pharmacology and molecular docking study [J].

Dai, Weibo ;

Yang, Jing ;

Liu, Xin ;

Mei, Quanxi ;

Peng, Weijie ;

Hu, Xianjing .

BMC COMPLEMENTARY MEDICINE AND THERAPIES, 2023, 23 (01)

[6] SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules [J].

Daina, Antoine ;

Michielin, Olivier ;

Zoete, Vincent .

SCIENTIFIC REPORTS, 2017, 7

[7] PI3K-AKT-mTOR inhibitors in breast cancers: From tumor cell signaling to clinical trials [J].

Dey, Nandini ;

De, Pradip ;

Leyland-Jones, Brian .

PHARMACOLOGY & THERAPEUTICS, 2017, 175 :91-106

[8] Hedyotis diffusa willd extract suppresses colorectal cancer growth through multiple cellular pathways [J].

Feng, Jianyu ;

Jin, Yiyi ;

Peng, Jun ;

Wei, Lihui ;

Cai, Qiaoyan ;

Yan, Zhaokun ;

Lai, Zijun ;

Lin, Jiumao .

ONCOLOGY LETTERS, 2017, 14 (06) :8197-8205

[9] Classification of pyroptosis patterns and construction of a novel prognostic model for prostate cancer based on bulk and single-cell RNA sequencing [J].

Fu, Jianhan ;

Li, Guoqiang ;

Luo, Ruixiang ;

Lu, Zhijie ;

Wang, Yinhuai .

FRONTIERS IN ENDOCRINOLOGY, 2022, 13

[10] PI3K/AKT/mTOR signaling transduction pathway and targeted therapies in cancer [J].

Glaviano, Antonino ;

Foo, Aaron S. C. ;

Lam, Hiu Y. ;

Yap, Kenneth C. H. ;

Jacot, William ;

Jones, Robert H. ;

Eng, Huiyan ;

Nair, Madhumathy G. ;

Makvandi, Pooyan ;

Geoerger, Birgit ;

Kulke, Matthew H. ;

Baird, Richard D. ;

Prabhu, Jyothi S. ;

Carbone, Daniela ;

Pecoraro, Camilla ;

Teh, Daniel B. L. ;

Sethi, Gautam ;

Cavalieri, Vincenzo ;

Lin, Kevin H. ;

Javidi-Sharifi, Nathalie R. ;

Toska, Eneda ;

Davids, Matthew S. ;

Brown, Jennifer R. ;

Diana, Patrizia ;

Stebbing, Justin ;

Fruman, David A. ;

Kumar, Alan P. .

MOLECULAR CANCER, 2023, 22 (01)

← 1 2 3 4 5 →