Ma Dujun, Yu Tian, Peng Liping, Wang Lixin, Liao Zhouwei, Xu Wenming
Department of Orthopaedics, Shenzhen Traditional Chinese Medicine Hospital, Shenzhen, Guangdong 518033, China.
Evid Based Complement Alternat Med. 2019 Jul 15;2019:1205942. doi: 10.1155/2019/1205942. eCollection 2019.
is one of the most commonly used Chinese herbal medicines (CHM) that is currently considered for the treatment of osteoarthritis. The purpose of this study was to reveal the mechanism of osteoarthritis treatment based on the network pharmacology.
The effective components of were firstly screened out from the TCMSP database with ADME property parameters. Then, osteoarthritis-related proteins targeted by the effective components were predicted based on the DrugBank and CTD databases. Subsequently, enrichment analysis and interaction network between targets of effective components and pathways were also studied. In addition, the differentially expressed genes (DEGs) of GSE55457 were used for validation of the osteoarthritis-related target proteins. Finally, the effective components-target molecular docking models were predicted.
A total of 10 effective components were identified, of which kaempferol and quercetin had 1 and 29 targets, respectively. There were 26 target proteins of quercetin related to the osteoarthritis. These targets were mainly enriched in mitochondrial ATP synthesis coupled proton transport, cellular response to estradiol stimulus, and nitric oxide biosynthetic process. In addition, there were three common proteins, PIM1, CYP1B1, and HSPA2 based on the DEGs of GSE55457, which were considered as the key targeted proteins of the quercetin.
The docking of PIM1-quercetin, CYP1B1-quercetin, and HSPA2-quercetin may play important roles during the treatment of osteoarthritis by
是目前被考虑用于治疗骨关节炎的最常用中药之一。本研究旨在基于网络药理学揭示其治疗骨关节炎的机制。
首先从TCMSP数据库中筛选出具有ADME性质参数的有效成分。然后，基于DrugBank和CTD数据库预测有效成分靶向的骨关节炎相关蛋白。随后，还研究了有效成分靶点与通路之间的富集分析和相互作用网络。此外，利用GSE55457的差异表达基因（DEGs）对骨关节炎相关靶蛋白进行验证。最后，预测有效成分-靶标分子对接模型。
共鉴定出10种有效成分，其中山奈酚和槲皮素分别有1个和29个靶点。槲皮素的26个靶蛋白与骨关节炎相关。这些靶点主要富集在线粒体ATP合成偶联质子转运、细胞对雌二醇刺激的反应以及一氧化氮生物合成过程中。此外，基于GSE55457的DEGs有三种共同蛋白PIM1、CYP1B1和HSPA2，被认为是槲皮素的关键靶蛋白。
PIM1-槲皮素、CYP1B1-槲皮素和HSPA2-槲皮素的对接在通过……治疗骨关节炎过程中可能起重要作用。
