Yang Kailin, Zeng Liuting, Ge Jinwen
Hunan University of Chinese Medicine, Changsha, Hunan Province 410208, China.
Evid Based Complement Alternat Med. 2018 Mar 5;2018:5059743. doi: 10.1155/2018/5059743. eCollection 2018.
Breast cancer is the most common malignancy among women worldwide, but the long-term endocrine therapy is frequently associated with adverse side effects. Danzhi Xiaoyao powder (DXP) is a herbal formula that has an effect on breast cancer, especially ER-positive breast cancer. However, the active compounds, potential targets, and pharmacological and molecular mechanism of its action against cancer remain unclear.
A network pharmacology approach comprising drug-likeness evaluation, oral bioavailability prediction, Caco-2 permeability prediction, multiple compound target prediction, multiple known target collection, breast cancer genes collection, and network analysis has been used in this study.
Four networks are set up-namely, ER-positive breast cancer network, compound-compound target network of DXP, DXP-ER-positive breast cancer network, and compound-known target-ER-positive breast cancer network. Some ER-positive breast cancer and DXP related targets, clusters, biological processes, and pathways, and several potential anticancer compounds are found.
This network analysis successfully predicted, illuminated, and confirmed the molecular synergy of DXP for ER-positive breast cancer, got potential anticancer active compounds, and found the potential ER-positive breast cancer associated targets, cluster, biological processes, and pathways. This work also provides clues to the researcher who explores ethnopharmacological or/and herbal medicine's or even multidrugs' various synergies.
乳腺癌是全球女性中最常见的恶性肿瘤,但长期内分泌治疗常伴有不良副作用。丹栀逍遥散(DXP)是一种对乳腺癌,尤其是雌激素受体(ER)阳性乳腺癌有作用的中药方剂。然而,其抗癌的活性成分、潜在靶点以及药理和分子机制仍不清楚。
本研究采用了一种网络药理学方法,包括类药性评估、口服生物利用度预测、Caco-2细胞通透性预测、多种化合物靶点预测、多种已知靶点收集、乳腺癌基因收集以及网络分析。
建立了四个网络,即ER阳性乳腺癌网络、DXP的化合物-化合物靶点网络、DXP-ER阳性乳腺癌网络以及化合物-已知靶点-ER阳性乳腺癌网络。发现了一些与ER阳性乳腺癌和DXP相关的靶点、聚类、生物学过程和信号通路,以及几种潜在的抗癌化合物。
该网络分析成功预测、阐明并证实了DXP对ER阳性乳腺癌的分子协同作用,获得了潜在的抗癌活性化合物,并发现了潜在的与ER阳性乳腺癌相关的靶点、聚类、生物学过程和信号通路。这项工作也为探索民族药理学或/和草药甚至多种药物的各种协同作用的研究人员提供了线索。