Huangqi Guizhi Wuwu decoction in peripheral neurotoxicity treatment using network pharmacology and molecular docking

Abstract

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.

Study on the mechanism of Huangqi Guizhi Wuwu Decoction in treating diabetes peripheral neuropathy based on network pharmacology and molecular docking

“…The main active components of Huangqi Guizhi Wuwu Decoction are quercetin, kaempferol, luteolin, naringin, and icariin. All have anti-inflammatory, antioxidant, immune regulation, and estrogen-like effects [16]. In the PPI network analysis results, the degree values of TP53, IL6, MAPK3, EGFR, VEGFA, JUN, CAT, MAPK1, IL1B, ESR1, etc., were high, indicating strong interactions with other proteins and being at the core position of the network.…”

A multi-center clinical study on the treatment of knee osteoarthritis with Qubi Yangge Decoction combined with three steps and nine methods of whole knee

“…The Qubi Yangge decoction was developed by Professor Shi Qi combining with years of clinical experience on the basis of Jinbi decoction and Niubangzi decoction, which two decoctions has been proved to have a very good effect inthe treatment of knee osteoarthritis [30][31] . The Qubi Yangge decoction will be manufactured as granules, packaged, and labeled by a factory in Shanghai, according to good manufacturing practice.…”

Application of Huangqi Guizhi Wuwu Decoction in Orthopaedics and Traumatology

“…After three courses of treatment, the visual analogue scale (VAS), the evaluations of the neck disability index (NDI), and clinical efficacy were made, and the results showed that the VAS score and NDI score after oral administration of Chinese herbs were significantly reduced, suggesting that this prescription can effectively reduce the pain of CSR patients, improve cervical spine mobility and improve clinical efficacy. Chen et al 41 conducted a meta-analysis on the treatment of CSR with HQGZWWT which showed that it could improve the total effective rate of the treatment of CSR, whether it was used alone or in combination with massage manipulations.…”