Zeng Liying, Sun Shaodan, Chen Peiwen, Ye Qina, Lin Xiaoling, Wan Hongjun, Cai Yawen, Chen Xiaogang
The First Clinical College, Guangzhou University of Chinese Medicine, Guangzhou 510405, Guangdong, China.
The Second Affiliated Hospital, Guangzhou University of Chinese Medicine, Guangzhou 510120, Guangdong, China.
Evid Based Complement Alternat Med. 2022 May 9;2022:4687788. doi: 10.1155/2022/4687788. eCollection 2022.
Shenlingbaizhu powder (SLBZP), one of the classic Earth-cultivating and gold-generating prescriptions of traditional Chinese medicine, is widely used to treat various diseases. However, the pharmacological mechanisms of SLBZP on bronchial asthma (BA) and allergic colitis (AC) remain to be elucidated.
Network pharmacology and molecular docking technology were used to explore the potential mechanism of SLBZP in treating BA and AC with the simultaneous treatment of different diseases. The potential active compounds of SLBZP and their corresponding targets were obtained from BATMAN-TCM, ETCM, SymMap TCM@TAIWAN, and TCMSP databases. BA and AC disease targets were collected through DisGeNET, TTD, GeneCards, PharmGKB, OMIM, NCBI, The Human Phenotype Ontology, and DrugBank databases. Common targets for drugs and diseases were screened by using the bioinformatics and evolutionary genomics platform. The analyses and visualizations of Gene Ontology (GO) function and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment of common targets were carried out by software. The key targets were screened by using the plug-in "cytoHubba" of Cytoscape software, and the "active compound-key target" network was constructed. Molecular docking analysis was performed using AutoDock software. The miRTarBase database was used to predict microRNAs (miRNAs) targeting key targets, and the key target-miRNA network was constructed.
Through screening, 246 active compounds and 281 corresponding targets were obtained. Common targets were mainly enriched in 2933 biological processes and 182 signal pathways to play the role of treating BA and AC. There were 131 active compounds related to key targets. The results of molecular docking showed that the important active compounds in SLBZP had good binding ability with the key targets. The key target-miRNA network showed that 94 miRNAs were predicted.
SLBZP has played the role of treating different diseases with the same treatment on BA and AC through the characteristics of multicompound, multitarget, and multipathway of traditional Chinese medicine, which provides a theoretical basis for explaining the mechanism and clinical application of SLBZP treating different diseases with the same treatment in BA and AC.
参苓白术散是中医经典的培土生金方剂之一,广泛用于治疗各种疾病。然而,参苓白术散治疗支气管哮喘(BA)和过敏性结肠炎(AC)的药理机制仍有待阐明。
采用网络药理学和分子对接技术,探讨参苓白术散同时治疗不同疾病(BA和AC)的潜在机制。参苓白术散的潜在活性成分及其相应靶点从BATMAN-TCM、ETCM、SymMap TCM@TAIWAN和TCMSP数据库中获取。通过DisGeNET、TTD、GeneCards、PharmGKB、OMIM、NCBI、人类表型本体论和DrugBank数据库收集BA和AC疾病靶点。利用生物信息学和进化基因组学平台筛选药物与疾病的共同靶点。通过软件对共同靶点进行基因本体(GO)功能和京都基因与基因组百科全书(KEGG)通路富集分析及可视化。利用Cytoscape软件的“cytoHubba”插件筛选关键靶点,构建“活性成分-关键靶点”网络。使用AutoDock软件进行分子对接分析。利用miRTarBase数据库预测靶向关键靶点的微小RNA(miRNA),构建关键靶点-miRNA网络。
通过筛选,共获得246种活性成分和281个相应靶点。共同靶点主要富集于2933个生物学过程和182条信号通路,以发挥治疗BA和AC的作用。有131种活性成分与关键靶点相关。分子对接结果表明,参苓白术散中的重要活性成分与关键靶点具有良好的结合能力。关键靶点-miRNA网络显示预测出94个miRNA。
参苓白术散通过中药多成分、多靶点、多途径的特点,在BA和AC中发挥异病同治的作用,为阐释参苓白术散在BA和AC中异病同治的机制及临床应用提供了理论依据。