In this study, we predicted the core active compounds of Huangqi Guizhi Wuwu decoction in treatment of oxaliplatin-induced peripheral neuropathy and the related potential mechanism. Corresponding database was used to complete the interaction (PPI) network of key targets and the enrichment analysis of corresponding genmes. Molecular docking of key targets and key compounds was carried out using relevant software. The 60 chemical components corresponding to the oral absorption of Huangqi Guizhi Wuwu decoction correspond to 157 unique targets, and the 233 chemical components corresponding to percutaneous absorption in vitro correspond to 155 unique targets. There were 1074 unique targets for chemotherapy-induced peripheral neuropathy. Finally, three common key targets (SLC6A2, SLC6A3, and SLC6A4) and two key compounds (6-Gingerol and nuciferin) were screened according to the above three target datasets. The results showed that The PPI network of common key targets involved 23 associated proteins. In the related GO enrichment results, there were 33 items related to biological processes, 13 items related to cell composition, 21 items related to molecular function, and four KEGG pathway enrichments. L1000 kinase and GPCR perturbation analysis showed that the associated protein had an effect on the expression of multiple groups of kinase genes. HPA revealed that the enrichment of three common key targets was tissue-specific. The docking results showed that the 6 groups were structurally stable. The oral and topical use of Huangqi Guizhi Wuwu decoction can prevent and control peripheral neurotoxicity. The prevention and control effects may be related to its participation in the regulation of neurotransmitter transport, sympathetic activity, and transport. The histological parts of the mechanism are mainly distributed in the adrenal gland, placenta, brain, intestine, and lung, the blood is not specific. According to the prediction results of molecular docking, 6-Gingerol and nuciferin can closely bind to three common key targets.

Cyperus rotundus is the dry rhizome of the Cyperaceae plant Cyperus. Although there are two types of processed products in clinics, their quality differences are not clear, and the identification methods are more complex. In this study, the chemical composition of different processed products of Cyperus rotundus was characterized using ultra-high-performance liquid chromatographyquadrupole-time of flight-mass spectrometry and molecular network analysis, to identify the potential chemical markers and to establish a quick and simple color-based discrimination method. Among the 65 compounds analyzed, 12 showed significant differences. Observing the color, the surface brightness (L*) of Cyperus rotundus decreased after vinegar processing, while red (a*) and yellow (b*) values increased. These color values correlated significantly with chemical compositions. Finally, a color discriminant function was established and verified for raw Cyperus rotundus and vinegar-processing Cyperus rotundus. Based on this study, Cyperus rotundus' quality can be effectively controlled and provides a method for the comprehensive characterization of chemical components and chemical markers of other traditional Chinese medicine and processed products, as well as new ideas and methods in identification and quality evaluation.

Purpose Most colorectal cancer(CRC) is developed from intestinal adenomatous polyps. Therefore, it is urgent to find new therapeutic drugs to intervene intestinal adenoma development in CRC.ELEMENE INJECTABLE EMULSION(EIE) has been reported to exert antitumor activity in various digestive tumor diseases. However, the mechanism of EIE in preventing colorectal adenoma (precancerous lesions) from developing into CRC has not been systematically explored.Methods Using network pharmacology correlation analysis and molecular docking, the central target of EIE in preventing colorectal adenoma(CRA) from transforming into cancer through innate immunity was excavated and verified. The differentially enriched pathways of human CRA, CRC, and corresponding adjacent tissue samples were analyzed by reverse-phase protein array (RPPA) to verify the relevant mechanism. Colon cancer cells were intervened to observe the proliferation, apoptosis, and cell cycle in different concentrations of EIE. The predicted related targets were verified by RT-PCR(real-time PCR), and the pathways were confirmed by Western blot.Results The analysis results show that Retinoid X Receptor alpha (RXRa) was the key target gene, and the main pathway was PI3K/AKt. Molecular docking results show that β- Elemene,γ-Elemene, and δ- Elemene have a strong affinity for RXRa.RPPA technology was used to analyze the functional enrichment of the differentially expressed genes of the Adenoma Cancer sequence, Adenoma Paracancerous sequence, and Cancer-Paracancerous sequence. The enrichment results of the three groups of sequence differential genes showed that the PI3K/Akt signaling pathway was the most significant. In addition, based on HCT116 and THC8307 in vitro experiments, PI3K,p-PI3K, Akt,p-Akt, and RXRa proteins and the relative expression of RXRa mRNA in the EIE intervention group were studied, and the predicted results were verified.Conclusion This is also the first evidence that our data provide that elemene aims to target the PI3K-Akt signaling pathway and RXRa, a target gene to play its role in affecting the development of CRA in cancer through innate immunity.