| 胡梦奕,屠小龙,王永生,张婷素.基于网络药理学和数据挖掘探讨中药调控肿瘤相关性失巢凋亡的用药规律[J].浙江中西医结合杂志,2023,33(9): |
| 基于网络药理学和数据挖掘探讨中药调控肿瘤相关性失巢凋亡的用药规律 |
| Medication Rules of Chinese Materia Medica for Regulating Cancer-related Anoikis Based on Network Pharmacology and Data Mining |
| 投稿时间：2022-05-09 修订日期：2022-09-15 |
| DOI： |
| 中文关键词: 失巢凋亡 肿瘤 网络药理学 中药 用药规律 |
| 英文关键词:Anoikis Cancer Network pharmacology Chinese materia medica Medication rules |
| 基金项目: |
|
| 摘要点击次数: 610 |
| 全文下载次数: 9 |
| 中文摘要: |
| 目的：探讨中药调控肿瘤相关性失巢凋亡(Anoikis)的物质基础和用药规律。方法：检索人类基因注释数据库(GeneCards)、在线人类孟德尔遗传数据库(OMIM)、DrugBank、DisGeNET、pharmGKB等数据库获得Anoikis相关靶点,利用 R 软件对潜在靶点进行京都基因与基因组百科全书(KEGG)分析。根据ADME参数及Lipinski规则在中药系统药理学数据库与分析平台(TCMSP)筛选出候选化合物和中药,构建“靶点-化合物”和“靶点-化合物-中药”网络,并运用分子对接技术验证部分靶点与化合物之间的相互作用。最后,匹配收集相关中药的性味归经,分析用药规律。结果：共获得313个Anoikis的作用靶点,其中26个可在TCMSP中匹配到候选化合物,经KEGG证实潜在靶点与多种恶性肿瘤相关。共收集到候选化合物198个,候选中药212味,分子对接结果显示,靶点与化合物之间具有良好的对接活性。相关中药药味以苦、辛、甘为主,药性以寒、温、平居多,归经主要属于肝、肺、胃经。结论：本研究较系统地探讨了中药调控肿瘤相关性Anoikis的物质基础和用药规律,推测Anoikis功能障碍的中医病机或为气机失调、气血不和,久而耗伤正气,遣方用药时需注意调畅气机、调和气血、扶正培本,对中医药抗肿瘤治疗有一定意义,也可为后续进一步开展探索性实验研究提供思路及依据。 |
| 英文摘要: |
| Objective: To explore the material basis and medication rules of Chinese materia medica regulating cancer-related anoikis. Methods: The targets of anoikis were obtained by searching GeneCards, OMIM, DrugBank, DisGeNET and PharmGKb databases. The potential targets were analyzed by Kyoto Encyclopedia of genes and genomes(KEGG) using R software. According to ADME parameters and Lipinski rules, candidate compounds and Chinese materia medica were screened out from TCMSP database. “Target-compound” and “target-compound-herb” networks were constructed. Molecular docking technology was used to verify the interaction between some targets and compounds. Finally, the property, taste and meridian tropism of each Chinese materia medica were matched, and the medication laws were analyzed. Results: Totally 313 targets related to anoikis were obtained, among which 26 targets could be matched with candidate compounds from TCMSP database. KEGG confirmed that the potential targets were related to a variety of malignant tumors. A total of 198 candidate compounds and 212 candidate Chinese materia medica were collected. The results of molecular docking showed the docking activity between the targets and the compounds was good. The tastes of related Chinese materia medica were mainly bitter, pungent and sweet, and the properties were mostly cold, warm and flat. The meridians mainly belonged to the liver, lung and stomach meridians. Conclusion: This study systematically analyzes the material basis and medication rules of Chinese materia medica regulating cancer-related anoikis. It is speculated that the pathogenesis of anoikis dysfunction may be the disorder of qi activity, the disharmony of qi and blood, which will consume healthy qi for a long time. We should pay attention to regulating qi activity, reconciling of qi and blood, and strengthening body resistance. It has certain significance for the anti-tumor treatment with traditional Chinese medicine, and can also provide ideas and basis for further exploratory experimental research. |
| 查看全文 查看/发表评论 下载PDF阅读器 |
| 关闭 |
|
|
|
