Network Pharmacology of Yougui Pill Combined with Buzhong Yiqi Decoction for the Treatment of Sexual Dysfunction

Abstract

Purpose We aimed to find the possible key targets of Yougui pill and Buzhong Yiqi decoction for the treatment of sexual dysfunction. Materials and Methods The composition of Yougui pill combined with Buzhong Yiqi decoction was obtained, and its effective components of medicine were screened using ADME; the component target proteins were predicted and screened based on the TCMSP and BATMAN databases. Target proteins were cross-validated using the CTD database. We performed gene ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway analyses for target proteins using the Cytoscape plugin ClueGO + CluePedia and the R package clusterProfiler, respectively. Subsequently, protein-protein interaction (PPI) analyses were conducted using the STRING database. Finally, a pharmacological network was constructed. Results The pharmacological network contained 89 nodes and 176 relation pairs. Among these nodes, there were 12 for herbal medicines (orange peel, licorice, Eucommia, Aconite, Astragalus, Chinese wolfberry, yam, dodder seed, ginseng, Cornus officinalis, Rehmannia, and Angelica), 9 for chemical components (18-beta-glycyrrhetinic acid, carvacrol, glycyrrhetinic acid, higenamine, nobilin, quercetin, stigmasterol, synephrine, and thymol), 62 for target proteins (e.g., NR3C1, ESR1, PTGS2, CAT, TNF, INS, and TP53), and 6 for pathways (MAPK signaling pathway, proteoglycans in cancer, dopaminergic synapse, thyroid hormone signaling pathway, cAMP signaling pathway, and neuroactive ligand-receptor interaction). Conclusion NR3C1, ESR1, PTGS2, CAT, TNF, INS, and TP53 may be important targets for the key active elements in the decoction combining Yougui pill and Buzhong Yiqi. Furthermore, these target proteins are relevant to the treatment of sexual dysfunction, probably via pathways associated with cancer and signal transduction.

Network Pharmacology-Based and Molecular Docking-Based Analysis of Suanzaoren Decoction for the Treatment of Parkinson’s Disease with Sleep Disorder

“…Application analysis platform and database system pharmacology of Chinese medicine (TCMSP, https:// tcmspw.com/tcmsp.php) [17] were used to retrieve active ingredients of SZRD and predict the targets of active ingredients. We use pharmacodynamics to select active ingredients satisfying both oral bioavailability ðOBÞ ≥ 30% and drug − likeness ðDLÞ ≥ 0:18 [18,19]. TCMSP was used for the prediction of targets of active ingredients.…”

Study on the Mechanism of Baimai Ointment in the Treatment of Osteoarthritis Based on Network Pharmacology and Molecular Docking with Experimental Verification

“…Firstly, the components of Curcumae longae Rhizoma, Zanthoxyli Pericarpium, Moschus, and Glycyrrhizae Radix et Rhizoma , the main ingredients of BMO, were collected from the traditional Chinese medicines for systems pharmacology database and analysis platform (TCMSP) ( http://tcmspw.com/ ) and traditional Chinese medicine integrated database (TCMID) ( http://www.megabionet.org/tcmid/ ) ( Wang et al, 2019 ; Cui et al, 2020 ). Drug likeness (DL) ≥ 0.18 was set as the threshold to screen the bioactive components ( Wang et al, 2015 ; Zeng et al, 2021 ).…”

Network Pharmacology-Based and Clinically Relevant Prediction of the Potential Targets of Chinese Herbs in Ovarian Cancer Patients

“…If the DL ≥ 0.18 (the standard recommended by the TCMSP database), the ingredients were retained. We selected target proteins with scores > 20 (the standard recommended by the BATMAN-TCM) [ 19 ].…”