ArticleMedical science monitor : international medical journal of experimental and clinical research2018
A Systems Biology-Based Approach to Uncovering Molecular Mechanisms Underlying Effects of Traditional Chinese Medicine Qingdai in Chronic Myelogenous Leukemia, Involving Integration of Network Pharmacology and Molecular Docking Technology.
Article in Medical science monitor : international medical journal of experimental and clinical research, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 22 papers.
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22 citing papers in PubMed, 34 citations in OpenAlex.
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- Indirubin, an Active Component of Indigo Naturalis, Exhibits Inhibitory Effects on Leukemia CellsAnti-cancer agents in medicinal chemistry · 2024Article
- Challenges and Perspectives in Target Identification and Mechanism Illustration for Chinese Medicine.Chinese journal of integrative medicine · 2023Review
- An Updated Review on Efficiency ofBioMed research international · 2023Review
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- Integrated Chemical Interpretation and Network Pharmacology Analysis to Reveal the Anti-Liver Fibrosis Effect ofFrontiers in pharmacology · 2022Article
- Network pharmacology analysis reveals neuroprotective effects of the Qin-Zhi-Zhu-Dan Formula in Alzheimer's disease.Frontiers in neuroscience · 2022Article
- A Network Pharmacology Approach for Uncovering the Antitumor Effects and Potential Mechanisms of the Sijunzi Decoction for the Treatment of Gastric Cancer.Evidence-based complementary and alternative medicine : eCAM · 2022Article
- Revealing Calcium Signaling Pathway as Novel Mechanism of Danhong Injection for Treating Acute Myocardial Infarction by Systems Pharmacology and Experiment Validation.Frontiers in pharmacology · 2022Article
- Mechanism of Jianpi Qingchang Huashi Recipe in treating ulcerative colitis: A study based on network pharmacology and molecular docking.World journal of clinical cases · 2021Article
- Systematic insight into the active constituents and mechanism of Guiqi Baizhu for the treatment of gastric cancer.Cancer science · 2021Article
- The mechanisms of celastrol in treating papillary thyroid carcinoma based on network pharmacology and experiment verification.Annals of translational medicine · 2021Article
- Potential mechanisms of Guizhi decoction against hypertension based on network pharmacology and Dahl salt-sensitive rat model.Chinese medicine · 2021Article
- Network Pharmacology-Based Study of the Underlying Mechanisms of Huangqi Sijunzi Decoction for Alzheimer's Disease.Evidence-based complementary and alternative medicine : eCAM · 2021Article
- Research on the Potential Mechanism of Gentiopicroside Against Gastric Cancer Based on Network Pharmacology.Drug design, development and therapy · 2020Article
- Applications of Network Pharmacology in Traditional Chinese Medicine Research.Evidence-based complementary and alternative medicine : eCAM · 2020Review
- Integrated Analysis of the Mechanisms of Da-Chai-Hu Decoction in Type 2 Diabetes Mellitus by a Network Pharmacology Approach.Evidence-based complementary and alternative medicine : eCAM · 2020Article
- Unraveling the Molecular Mechanisms of Fructus Anisi Stellati as a Remedy for Infantile Colic by Network Pharmacology.Evidence-based complementary and alternative medicine : eCAM · 2020Article
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Authors and funding
10 authors at 4 institutions in 1 country.
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Abstract
BACKGROUND The method of multiple targets overall control is increasingly used to predict the main active ingredient and potential target group of Chinese traditional medicines and to determine the mechanisms involved in their curative effects. Qingdai is the main traditional Chinese medicine used in the treatment of chronic myelogenous leukemia (CML), but the complex active ingredients and antitumor targets in treatment of CML have not been clearly defined in previous studies. MATERIAL AND METHODS We constructed a protein-protein interaction network diagram of CML with 638 nodes (proteins) and 1830 edges, based on the biological function of chronic myelocytic leukemia by use of Cytoscape, and we determined 19 key gene nodes in the CML molecule by network topological properties analysis in a data bank. Then, we used the Surflex-dock plugin in SYBYL7.3 docking and acquired the protein crystal structures of key genes involved in CML from the chemical composition of the traditional Chinese medicine Qingdai with key proteins in CML networks. RESULTS According to the score and the spatial structure, the pharmacodynamically active ingredients of Qingdai are Isdirubin, Isoindigo, N-phenyl-2-naphthylamine, and Isatin, among which Isdirubin is the most important. We further screened the most effective activity key protein structures of CML to find the best pharmacodynamically active ingredients of Qingdai, according to the binding interactions of the inhibitors at the catalytic site performed in best docking combinations. CONCLUSIONS The results suggest that Isdirubin plays a role in resistance to CML by altering the expressions of PIK3CA, MYC, JAK2, and TP53 target proteins. Network pharmacology and molecular docking technology can be used to search for possible reactive molecules in traditional chinese medicines (TCM) and to elucidate their molecular mechanisms.
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