运用网络药理学和分子对接技术分析鹿茸治疗绝经后骨质疏松症的作用机制
Use of Network Pharmacology and Molecular Docking Technology to Analyze the Mechanism of Action of Velvet Antler in the Treatment of Postmenopausal Osteoporosis.
作者信息
Guo Kuiting, Wang Tiancheng, Luo Enjing, Leng Xiangyang, Yao Baojin
机构信息
Changchun University of Chinese Medicine, Changchun 130117, China.
Jilin Ginseng Academy, Changchun University of Chinese Medicine, Changchun 130117, China.
出版信息
Evid Based Complement Alternat Med. 2021 Oct 11;2021:7144529. doi: 10.1155/2021/7144529. eCollection 2021.
Deer velvet antlers are the young horns of male deer that are not ossified and densely overgrown. Velvet antler and its preparations have been widely used in the treatment of postmenopausal osteoporosis (PMOP) in recent years, although its mechanism of action in the human body remains unclear. To screen the effective ingredients and targets of velvet antler in the treatment of PMOP using network pharmacology and to explore the potential mechanisms of velvet antler action in such treatments, we screened the active ingredients and targets of velvet antler in the BATMAN-TCM database. We also screened the relevant targets of PMOP in the GeneCards and OMIM databases and then compared the targets at the intersection of both velvet antler and PMOP. We used Cytoscape 3.7.2 software to construct a network diagram of "disease-drug-components-targets" and a protein-protein interaction (PPI) network through the STRING database and screened out the core targets; the R language was then used to analyze the shared targets between antler and PMOP for GO-enrichment analysis and KEGG pathway-annotation analysis. Furthermore, we used the professional software Maestro 11.1 to verify the predictive analysis based on network pharmacology. Hematoxylin-eosin (H&E) staining and micro-CT were used to observe the changes in trabecular bone tissue, further confirming the results of network pharmacological analysis. The potentially effective components of velvet antler principally include 17-E2, adenosine triphosphate, and oestrone. These components act on key target genes such as AKT1, IL6, MAPK3, TP53, EGFR, SRC, and TNF and regulate the PI3K/Akt-signaling and MAPK-signaling pathways. These molecules participate in a series of processes such as cellular differentiation, apoptosis, metabolism, and inflammation and can ultimately be used to treat PMOP; they reflect the overall regulation, network regulation, and protein interactions.
鹿茸是雄性鹿未骨化且长满茸毛的幼角。近年来,鹿茸及其制剂已广泛用于治疗绝经后骨质疏松症(PMOP),但其在人体中的作用机制尚不清楚。为了利用网络药理学筛选鹿茸治疗PMOP的有效成分和靶点,并探索鹿茸在这类治疗中的潜在作用机制,我们在BATMAN-TCM数据库中筛选了鹿茸的活性成分和靶点。我们还在GeneCards和OMIM数据库中筛选了PMOP的相关靶点,然后比较了鹿茸和PMOP共同的靶点。我们使用Cytoscape 3.7.2软件通过STRING数据库构建了“疾病-药物-成分-靶点”网络图和蛋白质-蛋白质相互作用(PPI)网络,并筛选出核心靶点;然后使用R语言对鹿茸和PMOP之间的共同靶点进行基因本体(GO)富集分析和京都基因与基因组百科全书(KEGG)通路注释分析。此外,我们使用专业软件Maestro 11.1对基于网络药理学的预测分析进行验证。采用苏木精-伊红(H&E)染色和显微CT观察骨小梁组织的变化,进一步证实网络药理学分析的结果。鹿茸的潜在有效成分主要包括17-β-雌二醇、三磷酸腺苷和雌酮。这些成分作用于关键靶基因,如AKT1、IL6、MAPK3、TP53、EGFR、SRC和TNF,并调节PI3K/Akt信号通路和MAPK信号通路。这些分子参与细胞分化、凋亡、代谢和炎症等一系列过程,最终可用于治疗PMOP;它们反映了整体调节、网络调节和蛋白质相互作用。