Using Network Pharmacology and Molecular Docking Tools to Investigate the Potential Mechanism of Ephedra-Gypsum in the Treatment of Respiratory Diseases

作     者：Can Huang Ling Yuan Yang Niu Ya-Ting Yang Yi-Fan Yang Yi Nan Hong-Li Dou Joanna Japhet 

作者机构：School of Chinese MedicineNingxia Medical UniversityYinchuanNingxiaChina Pharmacy College of Ningxia Medical UniversityYinchuanNingxiaChina Key Laboratory of Ningxia Minority Medicine Modernization Ministry of EducationNingxia Medical UniversityYinchuanNingxiaChina School of MarxismShaanxi University of ChineseMedicineXianyangShaanxiChina 

出 版 物：《World Journal of Traditional Chinese Medicine》 (世界中医药杂志（英文）)

年 卷 期：2023年第9卷第2期

页      面：150-159页

核心收录：

学科分类：1008[医学-中药学(可授医学、理学学位)] 1007[医学-药学(可授医学、理学学位)] 1006[医学-中西医结合] 1002[医学-临床医学] 1001[医学-基础医学(可授医学、理学学位)] 100602[医学-中西医结合临床] 10[医学] 

基　　金：supported by Grants from the National Natural Science Foundation of China(grant no.U20A20404) National College Students'Innovation and Entrepreneurship Training Program(202210752014) 

主　　题：Ephedra-gypsum mechanistic studies molecular docking network pharmacology respiratory diseases 

摘      要：Objective:The objective of this study was to investigate the potential mechanisms of ephedra-gypsum in the treatment ofrespiratory diseases(RDs)using network pharmacology and molecular docking *** and Methods:The TCMSP and UniProt databases were used to mine the active components and targets of ephedra-gypsum,and the targets of RD were screened using the Online Mendelian Inheritance in Man(OMIM)and GeneCards *** protein-protein interaction network graph was created using the drug-disease intersection targets in the STRING *** network diagram was analyzed using Cytoscape 3.9.1 s topology *** gene ontology(GO)and KEGG enrichment analyses were performed using the DAVID *** docking bioactivity validation of the main active components and core targets was performed using AutoDock and PyMOL ***:Twenty-four compounds were screened,and 113 drug-disease targets *** total,358 biological processes,67 molecular functions,38 cellular components of GO,and 139 pathways were *** docking analysis demonstrated the strong binding ability of tumor protein 53(TP53)-***:The core components of ephedra-gypsum,such as quercetin,luteolin,kaempferol,and CaSO_(4)·2H_(2)O,act on key targets,such as tumor necrosis factor(TNF),interleukin-6(IL-6),TP53,and IL-1β through cytokine-mediated signaling pathways,infiammatory responses,cell proliferation,and *** could be useful for the treatment of RD.