Exploring the Mechanism of Danshen against Myelofibrosis by Network Pharmacology and Molecular Docking
Exploring the Mechanism of Danshen against Myelofibrosis by Network Pharmacology and Molecular Docking
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通过网络药理学和分子对接探讨丹参抗骨髓纤维化的机制
DOI：
10.1155/2018/8363295
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发表时间：
2018-01-01
影响因子：
--
通讯作者：
Sun, Changgang
中科院分区：
文献类型：
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作者：
Li, Jie;Ma, Xiaoran;Sun, Changgang
丹参（Salvia miltiorrhiza Bunge）是一种用于治疗多种疾病的天然强效药物，几个世纪以来，亚洲国家传统上一直将其用作抗癌剂、抗炎剂和抗氧化剂。最近，它与其他草药联合用于骨骼疾病的治疗；具有药理活性的骨靶向化合物已从包括丹参在内的各种中药来源中分离出来。在这种情况下，一些证据支持丹参可能通过发挥其抗肿瘤作用来治疗骨髓纤维化（MF）。为了研究丹参治疗MF的具体机制，我们使用生物信息学数据库来确定其活性成分。然后，利用网络药理学分析平台鉴定与MF相关的靶蛋白。我们的研究结果确定了丹参的20种关键活性化合物和457个关键靶点。对主要疾病、功能和通路的深入网络分析表明，丹参参与MF存在一种共同的潜在机制。最后，通过分析确定了5个潜在靶点；这5个靶点以及先前确定的20种化合物进行了分子对接实验。结果表明，丹参中的隐丹参酮可能通过作用于JAK - STAT信号通路和TGF - β信号通路中的关键基因来影响MF。
Danshen (Salvia miltiorrhiza Bunge), a natural powerful drug for various conditions treatment, has traditionally been used in Asian countries for centuries as anticancer agent, anti-inflammatory agent, and antioxidant. More recently, it is explored in combination with other herbs for skeletal diseases therapy; bone-targeting compounds with pharmacological activities have been isolated from various sources of traditional Chinese medicine (TCM), including Danshen. In this case, some evidence supports that Danshen may treat myelofibrosis (MF) by exerting its antitumor effect. To study the specific mechanism of Danshen in the treatment of MF, we used bioinformatics databases to determine its active ingredients. Then, identification of target proteins related to MF was made using a network pharmacology analysis platform. In our results, 20 key active compounds and 457 key targets of Danshen were identified. In-depth network analysis of the top diseases, functions, and pathways suggested that a common underlying mechanism linked Danshen involvement with MF. Finally, 5 potential targets were confirmed by the analysis; these 5 targets, as well as 20 previously identified compounds, were subjected to molecular docking experiments. The results indicated that cryptotanshinone of Danshen may affect MF by acting on the key genes in the JAK-STAT signalling pathway and the TGF-β signalling pathway.