Investigating the Molecular Mechanism of Xijiao Dihuang Decoction for the Treatment of SLE Based on Network Pharmacology and Molecular Docking Analysis

Abstract

Objective. To elucidate the main mechanism of Xijiao Dihuang decoction (XJDHT) for the treatment of systemic lupus erythematosus (SLE). Methods. TCMSP, BATMAN-TCM, ETCM, and TCMID databases and literature search were used to screen the potential active compounds of XJDHT, and TCMSP and SwissProt databases were searched to predict the targets of the compounds. The targets of SLE were obtained from Genegards, OMIM, and DisGeNET databases, and Venn online platform was used to obtain the intersection targets of XJDHT and SLE. Afterwards, the PPI network was constructed by using the STRING database, and the core targets were identified by network topology analysis. GO and KEGG enrichment analyses were performed through R software, and molecular docking of the top three core targets and their corresponding compounds were accomplished by Autodock Vina and Pymol softwares. Results. There were 30 potential active ingredients, 289 potential targets, and 129 intersection targets screened from the above databases. Network topology analysis identified 23 core targets, such as AKT1, TNF, IL6, IL1B, and INS. GO enrichment analysis obtained 2555 terms and mainly clustering on the react to lipopolysaccharide, membrane raft, and ubiquitin-like protein ligase binding. KEGG enrichment analysis obtained 187 signaling pathways, mainly concentrating on the lipid and atherosclerosis, AGE-RAGE signaling pathway in diabetic complications, fluid shear stress, and atherosclerosis. Molecular docking verified that the active compounds of XJDHT have the strong binding activity to the core targets. Conclusion. This study preliminarily uncovers the mechanism of XJDHT acting on SLE through a “multicompound, multitarget, and multipathway” manner. XJDHT may achieve the treatment of SLE by inhibiting the proinflammatory factors, inflammatory signal cvtokines, proliferation, injury, and apoptosis processes. In summary, the present study would provide a promising theoretical basis for further clinical and experimental studies.

Yin Huo Tang, a traditional Chinese herbal formula, relives ovariectomy and empty bottle stimulation-induced menopause-like symptoms in mice

“…YHT active ingredients are represented by orange nodes, menopause targets by blue nodes, and YHT itself by green nodes. The number of links connected to other nodes indicates the importance of a node in the network ( 17 ). Topological analysis of degree revealed that the top 10 active ingredients were: quercetin, genistein, kaempferol, apigenin, estradiol, isorhamnetin, formononetin, nobiletin, epicatechin, and maleic acid.…”

Deciphering the Mechanism of Xijiao Dihuang Decoction in Treating Psoriasis by Network Pharmacology and Experimental Validation

“…and Paeonia suffruticosa Andr., which has the effect of clearing heat and removing toxins, cooling blood and dispersing blood stasis. 17 While main clinical manifestation of psoriasis is blood heat and blood stasis, which coincides with the main therapeutic effect of XJDHT. However, the exact efficacy of XJDHT in the treatment of psoriasis has yet to be reported, and its underlying mechanism remains elusive.…”

The effect and safety of Bushen Huoxue Method combined with cyclophosphamide in the treatment of systemic lupus erythematosus: A protocol for systematic review and meta-analysis

“…SLE belongs to the category of “butterfly sore,” “horse sore,” and “sun sore” in the traditional Chinese medicine (TCM). [ 6 ] TCM has good therapeutic prospects and achieves good therapeutic outcomes for SLE due to its low side effects and multi-targeting characteristics. [ 7 ] The TCM theory believes that SLE is usually caused by congenital deficiency of endowment, deficiency of kidney yin, imbalance of yin and yang, imbalance of qi and blood, and stagnation of qi and blood stasis.…”