No abstract

Background In this study, Herb-Symptom analysis of Erchen Decoction combined Xiebai Powder (ECXB) prescription was conducted based on the SymMap platform, and the synergistic mechanism of this prescription in the treatment of chronic obstructive pulmonary disease (COPD) was explored by network pharmacology and molecular docking method. Methods The SymMap platform was used to collect information related to Traditional Chinese Medicine (TCM) symptoms and Modern Medicine (MM) symptoms prescribed by ECXB, and the “Herb-TCM Symptoms” network and “Herb-MM symptoms” network were drawn for Herb-Symptom analysis. TCMSP database was used to screen the active ingredients and corresponding targets of ECXB. GeneCards database was used to screen Chronic obstructive pulmonary disease related targets, which were mapped to the predicted targets of ECXB to obtain the action targets of ECXB in the treatment of Chronic obstructive pulmonary disease. Cytoscape software was used to construct the “Drug-ingredient-target” network. Protein-protein Interaction (PPI) network was analyzed by STRING database, and the core targets were obtained. DAVID database was used for Gene Ontology (GO) analysis and Kyoto Encyclopedia of Gene and Genome (KEGG) pathway enrichment analysis. Results Herb-Symptom analysis showed that ECXB prescription drugs had similar symptoms with COPD patients. Network pharmacology obtained 170 active ingredients with 137 corresponding targets, and 7002 Chronic obstructive pulmonary disease action targets were obtained. 120 ECXB treating chronic obstructive pulmonary disease joint action targets were obtained by intersection mapping, among which the core targets include MAPK8, ESR1, TP53, MAPK3, JUN, RELA, MAPK1, and AKT1. The GO enrichment analysis results indicated that ECXB mainly participates in response to drug, response to nutrient levels, response to extracellular stimulus, response to oxygen levels, and other biological processes. The pathway analysis showed that ECXB treating Chronic obstructive pulmonary disease by regulating hepatitis B, pathways in cancer, TNF signaling pathway, and so on. Conclusions This study analyzed the medication rule of ECXB prescription in the treatment of COPD from a new perspective, and found that the symptoms of TCM treatment with ECXB prescription were similar to those of Modern medicine treatment, and that ECXB could treat COPD through multi-component, multi-target, and multi-pathway synergistic effects, providing a scientific basis for further study on the mechanism of ECXB treatment of chronic obstructive pulmonary disease. It also provides new ideas for drug development.

Background: In recent years, the incidence and mortality rates of chronic obstructive pulmonary disease (COPD) have increased significantly. Erchen Decoction combined with Xiebai Powder (ECXB) formula is mainly used to treat lung diseases in traditional Chinese medicine (TCM). However, the active ingredients of ECXB formula, COPD treatment-related molecular targets, and the mechanisms are still unclear. To reveal its underlying action of mechanism, network pharmacology, molecular docking, and molecular dynamic (MD) simulation approaches were used to predict the active ingredients and potential targets of ECXB formula in treating COPD. As a result, Herb-Symptom analysis showed that the symptoms treated by both TCM and modern medicine of ECXB formula were similar to the symptoms of COPD. Network pharmacology identified 170 active ingredients with 137 targets, and 7,002 COPD targets was obtained. 120 targets were obtained by intersection mapping, among which the core targets include MAPK8, ESR1, TP53, MAPK3, JUN, RELA, MAPK1, and AKT1. Functional enrichment analysis suggested that ECXB formula might exert its treat COPD pharmacological effects in multiple biological processes, such as cell proliferation, apoptosis, inflammatory response, and synaptic connections, and ECXB formula treated COPD of the KEGG potential pathways might be associated with the TNF signaling pathway, cAMP signaling pathway, and VEGF signaling pathway. Molecular docking showed that ECXB formula treatment COPD core active ingredients can bind well to core targets. MD simulations showed that the RELA-beta-sitosterol complex and ESR1-stigmasterol complex exhibited higher conformational stability and lower interaction energy, further confirming the role of ECXB formula in the treatment of COPD through these core components and core targets. Our study analyzed the medication rule of ECXB formula in the treatment of COPD from a new perspective and found that the symptoms treated by both TCM and modern medicine of ECXB formula were similar to the symptoms of COPD. ECXB formula could treat COPD through multi-component, multi-target, and multi-pathway synergistic effects, providing a scientific basis for further study on the mechanism of ECXB formula treatment of COPD. It also provides new ideas for drug development.

Background In this study, Herb-Symptom analysis of Erchen Decoction combined Xiebai Powder (ECXB) prescription was conducted based on the SymMap platform, and the synergistic mechanism of this prescription in the treatment of chronic obstructive pulmonary disease (COPD) was explored by network pharmacology and molecular docking method. Methods The SymMap platform was used to collect information related to Traditional Chinese Medicine (TCM) symptoms and Modern Medicine (MM) symptoms prescribed by ECXB, and the “Herb-TCM Symptoms” network and “Herb-MM symptoms” network were drawn for Herb-Symptom analysis. TCMSP database was used to screen the active ingredients and corresponding targets of ECXB. GeneCards database was used to screen Chronic obstructive pulmonary disease related targets, which were mapped to the predicted targets of ECXB to obtain the action targets of ECXB in the treatment of Chronic obstructive pulmonary disease. Cytoscape software was used to construct the “Drug-ingredient-target” network. Protein-protein Interaction (PPI) network was analyzed by STRING database, and the core targets were obtained. DAVID database was used for Gene Ontology (GO) analysis and Kyoto Encyclopedia of Gene and Genome (KEGG) pathway enrichment analysis. Results Herb-Symptom analysis showed that ECXB prescription drugs had similar symptoms with COPD patients. Network pharmacology obtained 170 active ingredients with 137 corresponding targets, and 7002 Chronic obstructive pulmonary disease action targets were obtained. 120 ECXB treating chronic obstructive pulmonary disease joint action targets were obtained by intersection mapping, among which the core targets include MAPK8, ESR1, TP53, MAPK3, JUN, RELA, MAPK1, and AKT1. The GO enrichment analysis results indicated that ECXB mainly participates in response to drug, response to nutrient levels, response to extracellular stimulus, response to oxygen levels, and other biological processes. The pathway analysis showed that ECXB treating Chronic obstructive pulmonary disease by regulating hepatitis B, pathways in cancer, TNF signaling pathway, and so on. Conclusions This study analyzed the medication rule of ECXB prescription in the treatment of COPD from a new perspective, and found that the symptoms of TCM treatment with ECXB prescription were similar to those of Modern medicine treatment, and that ECXB could treat COPD through multi-component, multi-target, and multi-pathway synergistic effects, providing a scientific basis for further study on the mechanism of ECXB treatment of chronic obstructive pulmonary disease. It also provides new ideas for drug development.