Exploration of Hanshi Zufei prescription for treatment of COVID-19 based on network pharmacology

作     者：Xinrui Li Zishuai Wen Mingdong Si Yuxin Jia Huixian Liu Yuguang Zheng Donglai Ma Xinrui Li;Zishuai Wen;Mingdong Si;Yuxin Jia;Huixian Liu;Yuguang Zheng;Donglai Ma

作者机构：School of PharmacyHebei University of Chinese MedicineShijiazhuang 050200China Traditional Chinese Medicine Processing Technology Innovation Center of Hebei ProvinceShijiazhuang 050091China Hebei Higher Education Institute Applied Technology Research Center on TCM Formula PreparationShijiazhuang 050091China 

出 版 物：《Chinese Herbal Medicines》 (中草药（英文版）)

年 卷 期：2022年第14卷第2期

页      面：294-302页

学科分类：1008[医学-中药学(可授医学、理学学位)] 1006[医学-中西医结合] 100602[医学-中西医结合临床] 10[医学] 

基　　金：supported by the Research Foundation of Administration of Traditional Chinese Medicine of Hebei Province(No.2018105) 

主　　题：COVID-19 Hanshi Zufei prescription molecular docking network pharmacology SARS-CoV-2 

摘      要：Objective:Network pharmacology combines drug and disease targets with biological information networks based on the integrity and systematicness of the interactions between drugs and disease *** study aims to explore the molecular basis of Hanshi Zufei formula for treatment of COVID-19 based on network pharmacology and molecular docking ***:Using TCMSP,the chemical constituents and molecular targets of Atractylodis Rhizoma,Citri Reticulatae Pericarpium,Magnoliae Officinalis Cortex,Pogostemonis Herba,Tsaoko Fructus,Ephedrae Herba,Notopterygii Rhizoma et Radix,Zingiberis Rhizoma Recens,and Arecae Semen were *** predicted targets of novel coronavirus were screened using the NCBI and Gene Cards *** further screen the drug-disease core targets network,the corresponding target proteins were queried using multiple databases(Biogrid,DIP,and HPRD),a protein interaction network graph was constructed,and the network topology was *** molecular docking studies were also performed between the network’s top 15 compounds and the coronavirus(SARS-Co V-2)3 CL hydrolytic enzyme and angiotensin conversion enzymeⅡ(ACE2).Results:The herb-active ingredient-target network contained nine drugs,86 compounds,and 49 drugdisease *** ontology(GO)enrichment analysis resulted in 1566 GO items(P0.05),among which 1438 were biological process items,35 were cell composition items,and 93 were molecular function *** signal pathways were obtained by enrichment screening of the KEGG pathway database(P0.05).The molecular docking results showed that the affinity of the core active compounds with the SARS-CoV-23 CL hydrolase was better than for the other ***:Several core compounds can regulate multiple signaling pathways by binding with 3 CL hydrolase and ACE2,which might contribute to the treatment of COVID-19.