南京中医药大学学报2025，Vol.41Issue(11)：1464-1479,16.DOI:10.14148/j.issn.1672-0482.2025.1464
基于"成分-疾病-症状-靶标"多维互作网络探析甘草抗COVID-19的潜在作用机制研究
Exploring the Potential Mechanism of Action of Licorice against COVID-19 Based on A Multidimensional Interaction Network of"Component-Disease-Symptom-Target"
摘要
Abstract
OBJECTIVE To explore the potential mechanisms and bioactive compounds of licorice against COVID-19 based on a multidimensional interaction of"component-disease-symptom-target".METHODS Firstly,candidate target sets for licorice compo-nents were obtained from the ETCM2.0 database based on the Encyclopedia of Traditional Chinese Medicine,and the disease symp-toms and associated target sets for COVID-19 were derived from the GeneCards and HPO databases.And then a protein interaction network was constructed using the String database(version 12.0).By calculating topological eigenvalues and functional enrichment analysis,the potential mechanisms of action were explored.Combined with Schrödinger molecular docking virtual screening,candidate pharmacodynamic substances were identified.Fluorescence resonance energy transfer was used for experimental verification.RESULTS Licorice might improve symptoms of COVID-19(fever,chest pain and so on)by regulating the imbalance of"immune-inflammation"network and signal transduction abnormalities during the development and progress of COVID-19,such as coronavirus disease-COVID-19,Toll-like receptor signaling pathway and NOD-like receptor signaling pathway.The components,such as Isos-chaftoside and Hesperidin,were identified to possess high binding affinity with the critical enzymes for viral replication.Isoschaftoside,Hesperidin,Isoliquiritin apioside and Vicenin-2 exhibited varying degrees of inhibition on the enzyme of 3CLpro at different concentra-tions while excluding the interference of the compounds' fluorescence.CONCLUSION Through experimental verification using a multidimensional interaction network of"component-disease-symptom-target",the key pharmacologically active substances of licorice in the fight against COVID-19 are preliminarily identified,and their mechanism of action through overall regulation is elucidated.关键词
甘草/COVID-19/抗病毒/网络构建与分析/分子对接/荧光共振能量转移/体外酶活性测定Key words
licorice/COVID-19/anti-viral/network construction and analysis/molecular docking/fluorescence resonance energy transfer/in vitro enzyme activity assay分类
医药卫生引用本文复制引用
宫恬,李玮婕,周兆寅,钟余特,王萍,马致洁,许海玉..基于"成分-疾病-症状-靶标"多维互作网络探析甘草抗COVID-19的潜在作用机制研究[J].南京中医药大学学报,2025,41(11):1464-1479,16.基金项目
国家重点研发计划(2023YFC2308200,2023YFC3502900) （2023YFC2308200,2023YFC3502900）
中国中医科学院科技创新工程(CI2023E002,CI2023C013YL) （CI2023E002,CI2023C013YL）
中央级公益性科研院所基本科研业务费专项资金(ZZ16-YQ-026,ZXKT24003) （ZZ16-YQ-026,ZXKT24003）
