首页|基于靶点和活性成分的筛选探讨连翘抗病毒作用机制

基于靶点和活性成分的筛选探讨连翘抗病毒作用机制

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连翘作为传统中药,具有显著的抗病毒作用,尤其是在治疗新冠肺炎方面.然而,其抗病毒有效化合物及其靶点尚不清楚.本论文利用网络药理学技术筛选连翘中的抗病毒成分和靶标,并利用分子对接技术分析了它们之间的相互作用.最终,从连翘中筛选出11个活性化合物(1-11)和7个抗病毒靶标(AKT1、TP53、MYC、PTEN、CASP8、MMP9和VEGFA),并利用基因本体论分析预测了潜在靶标可能的生物信号通路.基于分子对接结果,我们讨论了活性化合物的构效关系.此外,对活性化合物的吸收、分布、代谢、排泄和毒性(ADMET)特性进行了预测和分析.本研究阐明了连翘多个靶点和途径在治疗病毒性疾病中的协同作用,以及活性化合物的可药用性.本研究为开发和设计新型抗病毒药物提供了依据.
Unveiling the antiviral mechanism of Forsythia suspensa:A comprehensive analysis of screening targets and components
Forsythia suspensa,a traditional Chinese medicine,exhibits notable antiviral effects,particularly in the context of treating COVID-19.Despite its efficacy,the specific antiviral compounds within F.suspensa and their respective targets have not been elucidated.In this study,network pharmacology techniques were employed to identify antiviral components and targets in F.suspensa,with subsequent analysis of their interactions via molecular docking.Ultimately,11 active compounds(1-11)and seven antiviral targets(AKT1,TP53,MYC,PTEN,CASP8,MMP9,and VEGFA)were successfully screened.Gene ontology analysis was then employed to predict potential biological signaling pathways associated with these targets.The structure-activity relationship of the active compounds was discussed based on molecular docking results.Additionally,the absorption,distribution,metabolism,excretion,and toxicity(ADMET)properties of the active compounds were predicted and analyzed.This study not only highlighted the synergistic effects of multiple targets and pathways within F.suspensa for treating viral diseases but also underscored the druggability of its active compounds.The findings presented here laid a foundation for the development and design of novel antiviral drugs.

Forsythia suspensa(Thunb.)VahlAntiviralTraditional Chinese medicine targetsActive compounds

孙娜、马烁、靳琳萱、张新、周苗、杨欢欢、李文倩、吴欣茹、侯艳艳、袁宇涵、张玉、舒朋华

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许昌学院食品与药学院,河南许昌 461000

连翘 抗病毒 中药靶点 活性成分

National Natural Science Foundation of ChinaProject of Science and Technology Department of Henan ProvincePostgraduate Education Reform and QualityGraduate Education Reform Project of Henan ProvinceTraining Plan of Young Backbone Teachers in Universities of Henan ProvinceKey Scientific Research Program in Universities of Henan ProvinceNational Undergraduate Training Program for Innovation and EntrepreneurshipNational Undergraduate Training Program for Innovation and EntrepreneurshipSchoolland Cooperation ProjectTraining Plan of Young Backbone Teachers in Secondary College of Xuchang University(2023)

21702178242102310503YJS2023AL0822023SJGLX294Y2021GGJS14423A3500122023104800202024104800072023HX181

2024

10.5246/jcps.2024.06.040

中国药学(英文版)
中国药学会

中国药学(英文版)

CSTPCD
影响因子：0.534
ISSN：1003-1057
年,卷(期)：2024.33(6)
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