Exploring the Mechanism of Danshen against Myelofibrosis by Network Pharmacology and Molecular Docking

Abstract

Danshen (Salvia miltiorrhiza Bunge), a natural powerful drug for various conditions treatment, has traditionally been used in Asian countries for centuries as anticancer agent, anti-inflammatory agent, and antioxidant. More recently, it is explored in combination with other herbs for skeletal diseases therapy; bone-targeting compounds with pharmacological activities have been isolated from various sources of traditional Chinese medicine (TCM), including Danshen. In this case, some evidence supports that Danshen may treat myelofibrosis (MF) by exerting its antitumor effect. To study the specific mechanism of Danshen in the treatment of MF, we used bioinformatics databases to determine its active ingredients. Then, identification of target proteins related to MF was made using a network pharmacology analysis platform. In our results, 20 key active compounds and 457 key targets of Danshen were identified. In-depth network analysis of the top diseases, functions, and pathways suggested that a common underlying mechanism linked Danshen involvement with MF. Finally, 5 potential targets were confirmed by the analysis; these 5 targets, as well as 20 previously identified compounds, were subjected to molecular docking experiments. The results indicated that cryptotanshinone of Danshen may affect MF by acting on the key genes in the JAK-STAT signalling pathway and the TGF-β signalling pathway.

Uncovering the Pharmacological of Xiaochaihu Decoction in the Treatment of Pancreatitis Based on the Network Pharmacology

“…Molecular docking was the widely use technology for calculating protein-ligand interactions [35]. And the results also showed that Quercetin could docked well with MAPK3, IL-6 and TP53.…”

Uncovering the Pharmacological of Xiaochaihu Decoction in the Treatment of Pancreatitis Based on the Network Pharmacology

“…In this study, in ammation factors and apoptosis factors (MAPK3, IL-6 and TP53) were signi cantly downregulated by Quercetin. Given that in ammation and apoptosis were closely related with pancreatitis, they were likely to be the molecules regulated by Xiaochaihu Decoction in the treatment of pancreatitis.Molecular docking was the widely use technology for calculating protein-ligand interactions [36]. And the results also showed that Quercetin could docked well with MAPK3, IL-6 and TP53.…”

Top-100 Most Cited Publications Concerning Network Pharmacology: A Bibliometric Analysis

“…Similarly, Yeung et al [22] analyzed 100 most cited papers in ethnopharmacology and highlighted the importance of traditional medicine in medicine and food science. Pathway and network analysis and protein-protein interactions are common methods for NP [6–8, 23]. Oral bioavailability [24] is an essential parameter for drug absorption and utilization; therefore, NP studies commonly use this alone or in combination with other parameters, including drug likeness, Caco-2 permeability, and drug half-life, as filters to select compounds from herbs [6, 7, 25].…”