摘要
目的本文通过应用网络药理学及分子对接技术探究莪术中主要有效成分对溃疡性结肠炎(ulcerative colitis,UC)可能存在的治疗作用。方法通过数据库检索获得莪术活性成分和相对应靶点,并通过数据库检测溃疡性结肠炎相关的疾病靶点,得到莪术和溃疡性结肠炎的交集靶点后,制作蛋白相互作用(PPI)网络图。为交叉的目标基因做相应的基因本体功能注释(以下简称GO)、京都基因组百科全书(以下简称KEGG)通路富集探究。MOE软件将莪术的活性成分与核心靶点进行分子对接。结果共筛选出莪术主要活性成分3个及其靶点380个,溃疡性结肠炎相关靶点1986个和交集靶点146个。核心靶点包括表皮生长因子受体(EGFR)、磷脂酰肌醇3-激酶(PIK3R1)等。KEGG主要富集于PI3K-AKT信号通路等。分子对接结果显示,莪术的核心活性成分能够较好地亲和疾病的关键靶点。结论莪术可能通过多成分、多靶点及多通路共同参与溃疡性结肠炎的治疗。
Objective This study aimed to investigate the potential therapeutic effects of the main active ingredients of Curcuma longa on ulcerative colitis(UC)using network pharmacology and molecular docking techniques.Methods The active ingredients and their corresponding targets in Curcuma longa were obtained through database searches,while disease-related targets for ulcerative colitis were retrieved from relevant databases.The intersecting targets between Curcuma longa and ulcerative colitis were identified,anda protein-protein interaction(PPI)network was constructed.Gene Ontology(CO)functional annotation and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analyses were performed for the intersecting genes.Molecular Operating Environment(MOE)software was used to conduct molecular docking between the active compounds and the core targets.ResulstsA total of three main active ingredients of Curcuma longa and 380 associated targets were identified,along with 1986 ulcerative colitis-related targets,resulting in 146 intersecting targets.The core targets included epidermal growth factor receptor(ECFR)and phosphoinositide-3-kinase regulatory subunit 1(PIK3R1).KEGG pathway analysis revealed that the targets were mainly enriched in the PI3K-AKT signaling pathway.Molecular docking results indicated that the core active compounds exhibited strong binding affinities to key disease targets.Conclusion Curcuma longa may exert therapeutic effects on ulcerative colitis through a multi-component,multi-target,and multi-pathway approach.
作者
冯泽鹏
姜威
韩宇鹏
戚亚男
田书铭
FENG Zepeng;JIANG Wei;HAN Yupeng;QI Yanan;TIAN Shuming(First Hospital Affiliated to Jiamusi University,Clinical Medical College of Jiamusi University,Jmusi 150000,Heilongjiang,China)
出处
《微量元素与健康研究》
2025年第3期1-4,共4页
Studies of Trace Elements and Health
基金
黑龙江省教育厅科学技术研究项目(2022-KYYWF-0637)。
