Research on the Mechanism of Chuanxiong in Treating Diabetic Nephropathy by Network Pharmacology and Molecular Docking Technique

Background Chuanxiong hort. It has been used in the clinic, but its main active components and drug mechanism are unknown. Objective To explore the mechanism of diabetic nephropathy (DN) treated with chuanxiong hort. Methods the active components and targets of chuanxiong Hort. were collected by TCPSP database, the DN gene expression data were collected by NCBI database, DN related genes were obtained by differential analysis. Furthermore, String and Cytoscape tools were used to construct the regulatory network of chuanxiong and the main active components for DN treatment. At the same time, PPI network interaction analysis was performed for core genes and GO. KEGG analysis was performed, prediction of molecular docking using Auto Dock Tools for critical genes. Results eight active components of chuanxiong Hort. were screened out, and one was recorded repeatedly. They were Angelica lactone A, ligusticum chuanxiong naphthofurolactone, Myricetin, 1-palmitic acid-2-linoleic acid-3-olein and ferulic acid ester of conifer. In addition, the active components interact with 15 disease targets, namely PGR, NR3C1, NCOA1, NCOA2, NR3C2, PTGS1, F2, F7, ESR1, AR, PPARG, ESR2, DPP4, HSP90AA1 and PRKACA. Besides, GO analysis of target genes, involved in the regulation of DN by chuanxiong Hort., were the regulation of cellular response to steroid hormone stimulation, the binding of nuclear receptors to steroid hormone receptors and the principle of cAMP-dependent protein kinase complexes. What's more, results of KEGG analysis showed that estrogen signalling pathway, endocrine and other factors-regulated calcium reabsorption and adipocyte adipogenesis played a role in the regulation of DN. Further molecular docking showed that NCOA1 and NCOA2 could interact with Angelica lactone A, Myricetin, Chrysophanol, chuanxiong naphthalize and Chrysophanol. Conclusion the active components of chuanxiong Hort., including Angelica Lactone A, Myricetin, Chrysophanol, chuanxiong naphthafunolide and Chrysophanol, can affect the regulation of estrogen signalling pathway, endocrine and other factors regulating calcium reabsorption and adipogenesis of adipocytes through the regulation of steroid hormone stimulation and regulation of cAMP-dependent protein kinase complex, and then play a therapeutic role on DN.

Study of the Synchrotron Photoionization Oxidation of Alpha-Angelica Lactone (AAL) Initiated by O(3P) at 298, 550, and 700 K

In recent years, biofuels have been receiving significant attention because of their potential for decreasing carbon emissions and providing a long-term renewable solution to unsustainable fossil fuels. Currently, lactones are some of the alternatives being produced. Many lactones occur in a range of natural substances and have many advantages over bioethanol. In this study, the oxidation of alpha-angelica lactone initiated by ground-state atomic oxygen, O(3P), was studied at 298, 550, and 700 K using synchrotron radiation coupled with multiplexed photoionization mass spectrometry at the Lawrence Berkeley National Lab (LBNL). Photoionization spectra and kinetic time traces were measured to identify the primary products. Ketene, acetaldehyde, methyl vinyl ketone, methylglyoxal, dimethyl glyoxal, and 5-methyl-2,4-furandione were characterized as major reaction products, with ketene being the most abundant at all three temperatures. Possible reaction pathways for the formation of the observed primary products were computed using the CBS–QB3 composite method.

Ozonolysis of α-angelica lactone: a renewable route to malonates

Industrially relevant intermediates such as malonic acid, malonates and 3-oxopropionates can be easily accessed by ozonolysis of α-angelica lactone, derived from the platform chemical levulinic acid. The roles of the...