摘要
【目的】联合网络药理学和分子对接技术,挖掘扶元和中膏君药党参、麸炒白术等各单味药物及复方改善功能性消化不良(Functionaldyspepsia,FD)的潜在靶点和分子机制。【方法】对扶元和中膏中各单味药物改善功能性消化不良的研究进展进行综述;构建“FD-靶点-有效成分-扶元和中膏”网络,筛选出的交集基因进行GO分析和KEGG相关通路富集,分子对接分析。【结果】扶元和中膏14味药中有10味药具有改善FD的作用,其机制是通过调节胃肠激素水平发挥作用;网络药理学共获得扶元和中膏有效成分149个,与FD相关靶点2641个,扶元和中膏与FD的交集靶点281个,PPI网络筛选获得前5个核心靶点,从构建的“FD-作用靶点-有效成分-扶元和中膏”网络筛选获得扶元和中膏前25个有效成分,对281个交集靶点的GO分析和KEGG分析表明,扶元和中膏可能通过癌症通路、PI3K-Akt、MAPK等途径发挥治疗作用;分子对接结果表明2个主要成分(槲皮素和山奈酚)和3个关键靶点(AKT1、TNF、IL-6)均具有较好的亲和力。【结论】扶元和中膏的主要活性成分槲皮素和山奈酚可能通过癌症通路、PI3K-Akt、MAPK等信号通路,作用于AKT1、TNF、IL-6等关键靶点改善功能性消化不良。
【Objective】The study aimed to explore the potential targets and molecular mechanism by which each individual Chinese medicine such as Codonopsis Radix and Atractylodis Macrocephalae Rhizoma in Fuyuan Hezhong Ointment plays a role in improving functional dyspepsia(FD),with network pharmacology and molecular docking technology.【Method】The progress on the researches of individual Chinese medicine in Fuyuan Hezhong Ointment improving FD were reviewed.The network of“FD-target-active compound-Fuyuan Hezhong Ointment”was established.The related pathways of core targets were analyzed by GO,KEGG and molecular docking.【Result】There are 10 out of 14 individual Chinese medicines from Fuyuan Hezhong Ointment,which have an effect in improving FD,and the main mechanism was to regulate the level of gastrointestinal hormone.Network pharmacology analysis indicated that there were 149 active components and 2641 targets related to FD in Fuyuan Hezhong Ointment.There were 281 intersecting targets between Fuyuan Hezhong Ointment and FD.The top 5 core targets were obtained by PPI network screening.The top 25 active components in Fuyuan Hezhong Ointment were screened by performed the internet of“FD-target-active compound-Fuyuan Hezhong Ointment”.The analysis on 281 intersection targets by GO and KEGG showed that Fuyuan Hezhong Ointment might improve FD by means of cancer pathway,PI3K-Akt,MAPK and so on.The results of molecular docking showed that the 2 main active components(i.e.,quercetin and kaempferol)had good affinity with the top 3 core targets(i.e.,AKT1,TNF and IL-6).【Conclusion】The main active components(quercetin and kaempferol)in Fuyuan Hezhong ointment may act to improve FD through cancer pathway and PI3K-Akt,MAPK signaling pathways and through the targets of AKT1,TNF and IL-6.
作者
魏家艳
仲楠
张国玉
熊继东
胡芳弟
李芸
WEI Jiayan;ZHONG Nan;ZHANG Guoyu;XIONG Jidong;HU Fangdi;LI Yun(Gansu University of Chinese Medicine,Lanzhou 730000,China;Gansu Pharmaceutical Industry Innovation Research Institute,Lanzhou 730000,China;Lanzhou University,Lanzhou 730000,China)
出处
《甘肃农业大学学报》
CAS
CSCD
北大核心
2024年第1期30-40,共11页
Journal of Gansu Agricultural University
基金
甘肃省重点研发计划项目(20YF2FA019)
中央引导地方科技发展资金项目(22ZY1QA012)
甘肃中医药大学研究生创新创业基金资助项目(2022CX84)。
关键词
扶元和中膏
党参
麸炒白术
功能性消化不良
网络药理学
分子对接
分子机制
Fuyuan Hezhong Ointment
Codonopsis radix
Atractylodis macrocephalae rhizoma processed by stir-frying with bran
functional dyspepsia
network pharmacology
molecular docking
molecular mechanism
