特产研究2024，Vol.46Issue(3)：102-112,11.DOI:10.16720/j.cnki.tcyj.2023.059
基于网络药理学及分子对接探讨芦笋抗肿瘤作用的潜在靶点和分子机制
Mechanism of Asparagus on Antitumor Effect Based on the Network Phar-macology and Molecular Docking
摘要
Abstract
Network pharmacology and molecular docking were used to investigate the potential targets and molecular mechanisms of as-paragus for its anti-tumor effect.The components of asparagus were obtained through literature review by China Knowledge Network(CNKI),PubMed,and Web of Science,and the corresponding targets of asparagus components were obtained by TCMSP,Pubchem,and Swiss Target Prediction,and targets related to tumor diseases were obtained by OMIM,GeneCards,and DisGeNET.By Cytoscape software constructed asparagus-composition-target network diagram,using the target genes of asparagus and antitumor constructing PPI network intersection set of target genes.DAVID database was used for GO analysis and KEGG pathway enrichment analysis.Finally,AutoDock sof-tware was used for molecular docking verification between key components and core targets.20 active components and 172 potential targets of asparagus were screened out.GO function analysis shows that the mechanism of asparagus's anti-tumor effect may be through regulating signal transduction,activating enzyme activity and binding with protein.KEGG analysis showed that asparagus played an anti-tumor role by regulating HIF-1 signaling pathway,RAP1 signaling pathway,PI3K-Akt signaling pathway and VEGF signaling pathway.Molecular docking results showed that the binding energy of ligand and receptor is less than-20.93 kJ/mol,indicating that ligand and receptor have good binding.It is concluded that Quercetin,kaempin,amsaponin,lysine,geronin,protocatechuic acid and luteolin in asparagus may be the key components to play the anti-tumor role.The main targets involved them are AKT1,SRC,PIK3R1,MAPK1,etc.,which follows the char-acteristics of multi-component-multi-target-multi-pathway anti-tumor effect of Traditional Chinese Medicine.The potential targets and molecular mechanisms of asparagus for its anti-tumor effects were elucidated.关键词
芦笋/抗肿瘤/网络药理学/分子对接/分子机制Key words
asparagus/antitumor/network pharmacology/molecular docking/molecular mechanism分类
医药卫生引用本文复制引用
王迪,侯兵乔,牛俊博,于剑平,汲晨锋..基于网络药理学及分子对接探讨芦笋抗肿瘤作用的潜在靶点和分子机制[J].特产研究,2024,46(3):102-112,11.基金项目
黑龙江省重点研发计划指导类项目(GZ20210088) （GZ20210088）
黑龙江省中医药管理局科技计划项目(ZHY2020-175) （ZHY2020-175）
