Network Pharmacology Analysis to Uncover the Potential Mechanisms of Lycium barbarum on Colorectal Cancer,Interdisciplinary Sciences: Computational Life Sciences

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Network Pharmacology Analysis to Uncover the Potential Mechanisms of Lycium barbarum on Colorectal Cancer
Interdisciplinary Sciences: Computational Life Sciences ( IF 3.9 ) Pub Date : 2020-10-13 , DOI: 10.1007/s12539-020-00397-1
Yi Lu _{1,

2} , Jiachen Sun _{1,

2} , Minhui Hu _{1,

2} , Xianhe Kong _{1,

2} , Weijie Zhong _{1,

2} , Chujun Li _{1,

2}

Affiliation

Background

Studies have shown that extracts from Lycium barbarum exerted protective effects against colorectal cancer (CRC) cells. We used the network pharmacology method to determine the effects of L. barbarum on CRC and to predict core targets, biological functions, pathways, and mechanisms of action.

Method

We obtained the active compounds and their targets in L. barbarum via use of the Traditional Chinese Medicine System Pharmacology Database (TCMSP), gathered the CRC targets from Malacards, TTD, GeneCards, and DisGeNET, and chosen the overlapped targets as the candidate targets. After protein–protein interaction (PPI) network analysis, 20 with the highest node degree were selected as the core targets, and their enrichment and pathways were analyzed. Furthermore, we employed iGEMDOCK to validate the compound-target relation.

Result

Eventually, 103 overlapped targets were chosen as the candidate targets. Targets with the top 20 highest node degree were selected as the core targets. Gene Ontology (GO) enrichment analysis indicated that the core targets were enriched in cell proliferation regulation, extracellular space, cytokine receptor binding, and so on. Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway analysis proved that the core targets were significantly enriched in bladder cancer, pathways in cancer. The docking results demonstrated that beta-sitosterol, glycitein, and quercetin had good binding activity to CRC putative targets.

Conclusion

Our work successfully predicted the functioning ingredients and potential targets of L. barbarum in CRC and illustrated the potential pathways and mechanisms comprehensively. Nevertheless, these results still call for in vitro and in vivo experiments to validate.

中文翻译：

网络药理学分析揭示枸杞治疗结直肠癌的潜在机制

背景

研究表明，枸杞提取物对结直肠癌 (CRC) 细胞具有保护作用。我们使用网络药理学方法确定了枸杞对结直肠癌的影响，并预测了核心靶点、生物学功能、途径和作用机制。

方法

我们利用中药系统药理学数据库 (TCMSP)获得了枸杞中的活性化合物及其靶标，从 Malacards、TTD、GeneCards 和 DisGeNET 中收集了 CRC 靶标，并选择了重叠的靶标作为候选靶标。经过蛋白质-蛋白质相互作用（PPI）网络分析，选择节点度最高的20个作为核心目标，并分析它们的富集和途径。此外，我们使用 iGEMDOCK 来验证复合目标关系。

结果

最终，103个重叠目标被选为候选目标。选择节点度数前20位的目标作为核心目标。基因本体（GO）富集分析表明，核心靶点在细胞增殖调控、细胞外间隙、细胞因子受体结合等方面富集。京都基因和基因组百科全书（KEGG）通路分析证明，核心靶点在膀胱癌中显着富集，通路在癌症中。对接结果表明，β-谷甾醇、黄豆黄素和槲皮素对 CRC 假定目标具有良好的结合活性。