Prediction of Active Constituents and Potential Anti-tumor Mechanism of Ziyin Huatan Decoction Based on Network Pharmacology

SONG Shang-jin; YU Jia-hui; LIU Xuan; YUE Xiao-qiang

doi:10.13422/j.cnki.syfjx.20181140

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Prediction of Active Constituents and Potential Anti-tumor Mechanism of Ziyin Huatan Decoction Based on Network Pharmacology

更新时间：2024-01-04

- Prediction of Active Constituents and Potential Anti-tumor Mechanism of Ziyin Huatan Decoction Based on Network Pharmacology
- Chinese Journal of Experimental Traditional Medical Formulae Vol. 24, Issue 16, Pages: 163-169(2018)
- 作者机构：
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- DOI：10.13422/j.cnki.syfjx.20181140
  CLC： R285
- Published：2018
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SONG Shang-jin, YU Jia-hui, LIU Xuan, et al. Prediction of Active Constituents and Potential Anti-tumor Mechanism of Ziyin Huatan Decoction Based on Network Pharmacology[J]. Chinese journal of experimental traditional medical formulae, 2018, 24(16): 163-169.
DOI：

SONG Shang-jin, YU Jia-hui, LIU Xuan, et al. Prediction of Active Constituents and Potential Anti-tumor Mechanism of Ziyin Huatan Decoction Based on Network Pharmacology[J]. Chinese journal of experimental traditional medical formulae, 2018, 24(16): 163-169. DOI： 10.13422/j.cnki.syfjx.20181140.

摘要

目的：运用网络药理学的方法筛选滋阴化痰方的主要有效成分，预测其有效成分的抗肿瘤相关靶点；探讨其通过“多成分-多靶点-多通路”效应模型治疗肿瘤的机制。方法：通过中药化学成分数据库及文献，检索滋阴化痰方的化学成分，并依据TCMSP数据库的口服生物利用度（oral bioavailability，OB）和类药性指数（drug likeindex，DL）筛选出主要有效活性成分。借助DRAR-CPI分子对接服务器得到有效活性成分的潜在作用靶点，其后检索DrugBank和TTD数据库，收集肿瘤相关靶点并与之匹配，得到滋阴化痰方有效活性成分抗肿瘤的相关靶点。利用Cytoscape软件构建滋阴化痰方的有效活性成分-靶点网络图，分析其网络拓扑结构，并通过DAVID数据库对该方所涵盖的肿瘤相关靶点进行生物学功能和KEGG通路进行分析。结果：本研究共筛选出滋阴化痰方有效成分25种，肿瘤相关靶点92个，其中PDPK1，G3P，DHB1，AURKA，PPAP，S10A9和NQO1为滋阴化痰方主要抗肿瘤靶点。并发现该方可能通过调节细胞增殖、细胞迁移、细胞凋亡、磷酸化、信号转导等生物学过程，FoxO，磷脂酰肌醇3-激酶（PI3K）-蛋白激酶B（Akt），ErbB，Rap1，丝裂原活化蛋白激酶（MAPK），大鼠肉瘤（Ras），免疫球蛋白E-Fc受体Ⅰ（FcERⅠ）等信号通路发挥抗肿瘤作用。结论：该研究初步验证了滋阴化痰方发挥抗肿瘤效应的主要靶点和相关通路，为进一步实验研究揭示其作用机制奠定了基础。

Abstract

Objective: To predict the active compounds and effective anti-tumor targets of Ziyin Huatan decoction (ZYHTD) by network pharmacology

and explore its anti-tumor mechanism through ‘multi-compounds

multi-targets

and multi-pathways’ model. Method: The chemical constituents of ZYHTD were searched through TCM chemical component database and previous literature. The potential active compounds were screened based on oral bioavailability (OB) and drug likeindex (DL) in TCMSP database. The potential targets of active compounds were obtained based on DRAR-CPI docking server

and then the anti-tumor targets in Drugbank and TTD database were collected and matched to obtain the peculiar anti-tumor targets of ZYHTD. Further

the effective constituents-targets network of ZYHTD was established by using Cytoscape software and then the network topology was studied. Finally the biological function and KEGG pathway of all anti-tumor targets were analyzed through DAVID database. Result: A total of 25 active compounds

92 anti-tumor targets were predicted

from which PDPK1

G3P

DHB1

AURKA

PPAP

S10A9 and NQO1 were the main anti-tumor targets of ZYHTD. The functional anti-tumor mechanism of ZYHTD may associated with regulating the biological processes such as cell proliferation

cell migration

apoptotic process

phosphorylation

and signal transduction

as well as the signaling pathways such as FoxO

PI3K-Akt

ErbB

Rap1

MAPK

Ras and FcERI. Conclusion: This research preliminarily evidenced the main targets and related pathways for the anti-tumor effects of ZYHTD

laying a foundation for further experimental studies to reveal the mechanism.

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Related Institution

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