Background. Mental disorder is a group of systemic diseases characterized by a variety of physical and mental discomfort, which has become the rising threat to human life. Herbal medicines were used to treat mental disorders for thousand years in China in which the molecular mechanism is not yet clear. Objective. To systematically explain the mechanisms of SiNiSan (SNS) formula on the treatment of mental disorders. Method. A systems pharmacology method, with ADME screening, targets prediction, and DAVID enrichment analysis, was employed as the principal approach in our study. Results. 60 active ingredients of SNS formula and 187 mental disorders related targets were discovered to have interactions with them. Furthermore, the enrichment analysis of drug‐target network showed that SNS probably acts through “multi‐ingredient, multitarget, and multisystems” holistic coordination in different organs pattern by indirectly regulating the nutritional and metabolic pathway even their serial complications. Conclusions. Our research provides a reference for the molecular mechanism of medicinal herbs in the treatment of mental disease on a systematic level. Hopefully, it will also provide a theoretical basis for the discovery of lead compounds of natural medicines for other diseases based on traditional medicine.

Virtual Screening and Molecular Docking to Study the Mechanism of Chinese Medicines in the Treatment of Coronavirus Infection - Article abstract #934102

To explore the significance of Huangqi in the treatment of DN, this article explored the potential targets and signaling pathways of Astragalus-Chinese yam-Salvia miltiorrhiza in the intervention of diabetic nephropathy (DN), based on GEO database combined with network pharmacology and molecular docking. The relevant chips of DN were searched by GEO database, and the chemical active substances and corresponding targets in Astragali Radix, Dioscoreae Rhizoma and Salviae Miltiorrhizae Radix et Rhizoma were screened by TCMSP database, and the intersection with differentially expressed genes was taken. Then, the PPI network diagram was constructed by String database and Cytoscape 3.9.0 software respectively, and the gene GO and KEGG enrichment analysis were carried out by R language, and the above research results were verified by molecular docking. The results of molecular docking showed that the receptors IL6 and IL1 B could stably bind and interact with quercetin, diosgenin and luteolin. Thus, the active components such as quercetin, luteolin and diosgenin of Astragalus-Dioscorea-Salvia miltiorrhiza play a therapeutic role in DN by acting on IL6, IL1 B, MM9 and other targets, regulating AGE-RAGE and other signaling pathways.