Objective:To explore the potential mplecular mechanism of Puji Xiaodu Drink(普济消毒饮,PJX-DD)in the treatment of corona virus disease 2019(COVID-19)based on network pharmacology and molecu-lar docking technology.Meth...Objective:To explore the potential mplecular mechanism of Puji Xiaodu Drink(普济消毒饮,PJX-DD)in the treatment of corona virus disease 2019(COVID-19)based on network pharmacology and molecu-lar docking technology.Methods:The main active compounds of PJXDD were searched by Traditional Chinese Medicine Systems Pharmacology(TCMSP)database and related literature records,and the potential target of PJXDD was found by Swiss Target Prediction;relevant targets of COVID-19 were obtained through Gene Cards database.The PPI network of"drug-compound-target"and target protein interaction was constructed by STRING database and Cytoscape 3.6.1 software.The key targels were analyzed by MCODE plug-in.Finally,the common targets were used for GO enrichment analysis and KEGG pathway analysis by Enrichr.Molecular docking was used to screen the main active components that interact with key targets.Results:202 effective chemical components of PJXDD were screened,and 71 targets were applied to COVID-19.The results of molec-ular docking suggested that naringin and luteolin may be important active compounds of PJXDD against COV-ID-19.They may play a role in the treatment of COVID-19 by parieipating in the signaling pathways of inter-leukin signaling,cytok ine signaling in immune system,and the intrinsic pathway of apoptosis.Conclusion:PJX-DD plays an important role in anti-COVID-19 through multi-component,multi-target and multi-channel action in inflammatory response and immune regulation.展开更多
基金We thank for the funding support from the Henan Emergency Tackling Project(201100312300)Zhengzhou Emergency Tackling Project(ZZKJ2020604)。
文摘Objective:To explore the potential mplecular mechanism of Puji Xiaodu Drink(普济消毒饮,PJX-DD)in the treatment of corona virus disease 2019(COVID-19)based on network pharmacology and molecu-lar docking technology.Methods:The main active compounds of PJXDD were searched by Traditional Chinese Medicine Systems Pharmacology(TCMSP)database and related literature records,and the potential target of PJXDD was found by Swiss Target Prediction;relevant targets of COVID-19 were obtained through Gene Cards database.The PPI network of"drug-compound-target"and target protein interaction was constructed by STRING database and Cytoscape 3.6.1 software.The key targels were analyzed by MCODE plug-in.Finally,the common targets were used for GO enrichment analysis and KEGG pathway analysis by Enrichr.Molecular docking was used to screen the main active components that interact with key targets.Results:202 effective chemical components of PJXDD were screened,and 71 targets were applied to COVID-19.The results of molec-ular docking suggested that naringin and luteolin may be important active compounds of PJXDD against COV-ID-19.They may play a role in the treatment of COVID-19 by parieipating in the signaling pathways of inter-leukin signaling,cytok ine signaling in immune system,and the intrinsic pathway of apoptosis.Conclusion:PJX-DD plays an important role in anti-COVID-19 through multi-component,multi-target and multi-channel action in inflammatory response and immune regulation.
