文献类型：期刊文献

英文题名：Explore the mechanism and substance basis of Mahuang FuziXixin Decoction for the treatment of lung cancer based on network pharmacology and molecular docking

作者：Zhang, Weitong[1];Tian, Wangqi[1];Wang, Yifan[1];Jin, Xiaojie[2];Guo, Hui[1];Wang, Yuwei[1];Tang, Yuping[1];Yao, Xiaojun[3]

第一作者：Zhang, Weitong

通信作者：Wang, YW[1]

机构：[1]Shaanxi Univ Chinese Med, Coll Pharm, Shiji Ave, Xian, Shaanxi, Peoples R China;[2]Gansu Univ Chinese Med, Coll Pharm, Lanzhou, Gansu, Peoples R China;[3]Macau Univ Sci & Technol, State Key Lab Qual Res Chinese Med, Ave Wai Long, Taipa, Macau, Peoples R China

第一机构：Shaanxi Univ Chinese Med, Coll Pharm, Shiji Ave, Xian, Shaanxi, Peoples R China

通信机构：[1]corresponding author), Shaanxi Univ Chinese Med, Coll Pharm, Shiji Ave, Xian, Shaanxi, Peoples R China.

年份：2022

卷号：151

外文期刊名：COMPUTERS IN BIOLOGY AND MEDICINE

收录：;EI(收录号：20224613129561);Scopus(收录号：2-s2.0-85141923179);WOS:【SCI-EXPANDED(收录号:WOS:000900240200001)】；

基金：This study was supported by the Shaanxi University of Chinese Medicine (Project No. 2020XG01) , National Natural Science Foundation of China (Project No. 82003653) , Natural Science Foundation of Shaanxi Province (Project No. 2021JQ-734) .

语种：英文

外文关键词：Lung cancer; Mahuang FuziXixin Decoction; Traditional Chinese medicine; Network pharmacology; Molecular docking

摘要：Background: Mahuang FuziXixin Decoction (MFXD) is a classic Chinese herbal formula for the treatment of lung cancer. However, its mechanisms of action are unclear. In present study, network pharmacology and molecular docking technology were employed to investigate the molecular mechanism and substance basis of MFXD for the treatment of lung cancer.Method: The active compounds and corresponding targets of MFXD were collected through the TCMSP database. OMIM and GeneCards databases were applied to filter the targets of lung cancer. The protein-protein interaction (PPI) were acquired through the STRING platform. Metascape and the Bioinformatics server were used for the visualization of GO and KEGG analysis. The tissue and organ distribution of targets was evaluated based on the BioGPS database. The binding affinity between potential targets and active compounds was evaluated by molecular docking.Result: A total of 51 active compounds and 118 targets of MFXD were collected. The target with a higher degree were identified through the PPI network, namely AR, RELA, NCOA1, EGFR, FOS, CCND1, ESR1 and HSP90AA1. GO and KEGG analysis suggested that MFXD treatment of lung cancer mainly involves hormone and response to inorganic substance, transcription regular complex, transcription factor binding and Pathways in cancer. Experimental validation showed that MFXD treatment inhibited the proliferation of NSCLC cells through downregulation the expression of EGFR, HIF1A, NCOA1 and RELA. Moreover, molecular docking revealed that hydrogen bond and hydrophobic interaction contribute to the binding of the compounds to targets.Conclusion: Our findings comprehensively elucidated the actives, potential targets, and molecular mechanisms of MFXD against lung cancer, providing a promising strategy for the scientific basis and therapeutic mechanism of traditional Chinese medicine prescriptions for the treatment of the disease.