Background:The emergence of novel coronavirus pneumonia has seriously affected people’s normal life and health. Cold-dampness epidemic prescription has a good effect in the prevention and treatment of novel coronavirus pneumonia. Methods:TCMSP, PubChem, Swiss Target Prediction, PharmMapper database and related literatures were used to retrieve and predict the main chemical components and corresponding targets of Traditional Chinese Medicine (TCM)TCM. GeneCard, OMIM, NCBI and TTD databases were used to collect disease targets. Uniprot disease database was used to standardize target names. Cytoscape3.8.2 software was used to establish the “active components-action target” network. Protein interaction (PPI) network was established by using protein interaction database (STRING), and core genes were screened by CytoNCA plug-in of Cytoscape3.8.2 software.GO enrichment analysis and KEGG pathway enrichment analysis were carried out through DAVID network database, and Hiplot network platform was used for visualization. Molecular docking technology was used to verify the docking between core components and targets. Results:After preliminary screening, 102 effective components, 255 potential targets and 2230 COVID-19 disease targets were obtained, and it was speculated that the mechanism might be related to 177 pathways such as TNF signaling pathway, IL-17 signaling pathway and AGE-RAGE signaling pathway in diabetic complications. The absolute values of docking binding energy between active components such as quercetin, luteolin and wogonin and targets such as PTGS2, AR, TP53 and CASP3 were greater than 5.0 Kcal/mol, and the docking results were good. Conclusion:Cold-dampness epidemic prescription has the characteristics of multiple components, multiple targets and multiple pathways in the prevention and treatment of COVID-19, and may play a therapeutic role through anti-inflammatory, antiviral and immune regulation.

Background: Uterine Leiomyoma (UL) is one of the most common benign tumors of the female reproductive system. A Traditional Chinese Medicine (TCM) treatment known as Lichong Decoction (LD) can effectively alleviate the clinical symptoms of UL and reduce adverse reactions and complications. Methods: The active ingredients and targets of LD were retrieved in the TCMSP database and related literature, and the action targets of UL were obtained through the DisGeNET, Genecards, and OMIM databases. The intersection of LD and UL targets was extracted by R software, and the “ingredient-target” network was constructed by Cytoscape software. At the same time, a potential target protein interaction network was constructed by means of a protein interaction database (STRING), and information visualization and topology analysis were completed by Cytoscape software. R software was used for GO enrichment analysis and KEGG pathway enrichment analysis of intersection targets. Molecular docking technology was used for docking verification of key ingredients and core targets. Results: A total of 93 LD active ingredients and 143 LD-UL intersecting targets involving 2,660 GO analysis items and 178 KEGG signaling pathways were obtained. It is predicted that the key active ingredients of LD in the treatment of UL may be quercetin, luteolin, hederagenin, bis-demethoxycurcumin, and kaempferol, which mainly involve SRC, TP53, HSP90AA1, AKT1, MAPK1, and other targets, and may play a role in the treatment of UL through multiple KEGG pathways such as PI3K−Akt signaling pathway, AGE-RAGE pathway in diabetic complications, and cancer-related pathway. Molecular docking results indicated that quercetin, luteolin, hederagenin, bis-demethoxycurcumin, and kaempferol had good docking effects with SRC, TP53, HSP90AA1, AKT1, and MAPK1, respectively. Conclusions: This study analyzed the key ingredients, core targets and related pathways of LD in the treatment of UL, confirmed the therapeutic effect of LD in the treatment of UL, and provided a reference for subsequent clinical practice and basic research in traditional Chinese medicine.

Background: Lung abscess is a purulent infection of the lung tissue that is caused by one or more pathogens. Traditional Chinese medicine (TCM) can effectively treat lung abscess and has certain advantages compared to antibiotics. Methods: The prescriptions for lung carbuncle in Zhong Hua Yi Fang were organized using Excel 2016, and the core drugs were identified on the basis of ancient and modern medical records. The effective compounds and targets of the core drug pairs were retrieved from TCMSP database, and the disease targets of lung abscess were retrieved from the Genecard, PharmGkb, OMIM and DrugBank databases. The drug-compound-target network was constructed using Cytoscape, and the intersecting targets of drugs and diseases were obtained using R. The protein-protein interaction (PPI) network was constructed using the STRING database and Cytoscape, and the core targets were obtained. The latter were functionally annotated by GO enrichment analysis and KEGG pathway analysis. AutoDockTools was used for molecular docking simulation. The results were visualized by Pymol software and TBtools software. Results: A total of 182 prescriptions for the treatment of lung abscess were identified, including 240 TCM formulations. The top 10 most frequently used drugs were licorice, Platycodon grandiflorum, Fritillaria, Panax ginseng, Semen Armeniacae Amarum, Mori Cortex, Coix seed, Poria cocos, Aster tataricus and Ophiopogon japonicus. The core drugs were licorice and P. grandiflorum. In addition, 99 active compounds of the core drug pair were screened, corresponding to 124 targets of lung abscess, and 23 core targets were identified, including MMP9, CASP3, PPARG and MYC among others. The core targets were enriched in 2150 biological processes, 52 cell components and 164 molecular functions in the GO analysis. Furthermore, KEGG enrichment analysis revealed that the core targets were associated with 174 pathways. Molecular docking of quercetin, luteolin and kaempferol with the core targets showed good binding activity. Conclusions: Licorice and P. grandiflorum inhibit inflammation, promote cell growth and regulate apoptosis in lung abscess by targeting the PI3K-Akt and AGE – RAGE signaling pathways, specifically CASP3, VEGFA, JUN, TP53, AKTI, etc. Our study provides theoretical reference for subsequent studies on the therapeutic effects of TCM on lung abscess.

Background: Mumps is a highly infectious acute respiratory infectious disease caused by mumps virus, which mainly occurs in children and adolescents. Traditional Chinese Medicine (TCM) effectively alleviates the symptoms of mumps. Methods: Relevant literature on TCM for treating mumps was collected from the China National Knowledge Infrastructure (CNKI), and data mining tools identified the core drug group. The TCMSP database retrieved the active ingredients and targets of the core drug group and through screening data from GeneCard, OMIM, PharmGkb, Drug Bank, and Uniprot disease databases to obtain common targets for drug and disease. The Cytooscape software constructed the “ingredients-targets” network. Meanwhile, the protein interaction database (STRING) constructed the potential target protein interaction network. The CytoNCA plug-in of Cytoscape screened the core targets. GO functional, and KEGG enrichment analyses of intersection targets were performed using the R statistical software. The molecular docking technology verified the relationship between the core ingredients and targets. Result: A total of 177 prescriptions were extracted from the CNKI literature, including 138 Chinese medicines. Forsythia suspensa, Isatidis Radix, and Scutellariae Radix were selected as the core drug group. Preliminary screening obtained 60 active ingredients and 23 common genes. The mechanism of action is related to the 94 significantly enriched pathway, including Fluid shear stress and atherosclerosis, Lipid and atherosclerosis, TNF signaling pathway, AGE-RAGE signaling pathway in diabetic complications, and NOD-like receptor signaling pathway. The molecular docking results revealed that most of the combinations of the active components and core targets could form stable structures. Conclusions: The main active ingredients, action targets, and related pathways for treating mumps using Forsythia suspensa, Isatidis Radix, and Scutellariae Radix is discussed. The study confirmed the effects of Forsythia suspensa, Isatidis Radix, and Scutellariae Radix for treating mumps, providing a reference for clinical practice.

Background:Polycystic ovary syndrome (PCOS) is the most common endocrine and metabolic disease in women of childbearing age worldwide. Traditional Chinese Medicine (TCM) effectively alleviates the clinical symptoms of PCOS. Methods: Relevant literature on TCM for treating PCOS was collected from the China National Knowledge Infrastructure (CNKI), and data mining tools identified the core drug group. The TCMSP database retrieved the active ingredients and targets of the core drug group and through screening data from GeneCard, OMIM, PharmGkb, DrugBank, and Uniprot disease databases to obtain common targets for drugs and diseases. The Cytoscape software constructed the “ingredients-targets” network. Meanwhile, the protein interaction database (STRING) constructed the potential target protein interaction network. The CytoNCA plug-in of Cytoscape screened the core targets. GO functional, and KEGG enrichment analyses of intersection targets were performed using the R statistical software. The molecular docking technology verified the relationship between the core ingredients and targets. Results: A total of 175 prescriptions were extracted from the CNKI literature, including 212 Chinese medicinals. Angelica sinensis, Cuscuta chinensis, and Rehmannia root were selected as the core drug group. Preliminary screening obtained 13 active ingredients and 446 potential targets. The mechanism of action is related to the 175 significantly enriched pathways, including lipid and atherosclerosis, fluid shear stress and atherosclerosis, AGE-RAGE signaling pathway in diabetic complications, MAPK, TNF, and PI3K-Akt signaling pathways. The absolute value of binding energies of quercetin, kaempferol, and isorhamnetin with NCOA2, PGR, and PTGS2 were over 5.0 Kcal / mol, indicating good docking results. Conclusions: The main active ingredients, action targets, and related pathways for treating PCOS using Angelica sinensis, Cuscuta chinensis, and Rehmannia root is discussed. The study confirmed the effects of Angelica sinensis, Cuscuta chinensis, and Rehmannia root for treating PCOS, providing a reference for clinical practice.