Network Analysis of the Herb-Drug Interactions of Citrus Herbs Inspired by the “Grapefruit Juice Effect” was written by Lu, Jintao;Zhang, Dan;Zhang, Xiaomeng;Sa, Rina;Wang, Xiaofang;Wu, Huanzhang;Lin, Zhijian;Zhang, Bing. And the article was included in ACS Omega in 2022.Formula: C10H20O2 The following contents are mentioned in the article:
This study was performed to investigate the herb-drug interactions (HDIs) of citrus herbs (CHs), which was inspired by the “grapefruit (GF) juice effect”. Based on network anal., a total of 249 components in GF and 159 compounds in CHs exhibited great potential as active ingredients. Moreover, 360 GF-related genes, 422 CH-related genes, and 111 genes associated with drug transport and metabolism were collected, while 25 and 26 overlapping genes were identified. In compound-target networks, the degrees of naringenin, isopimpinellin, apigenin, sinensetin, and isoimperatorin were higher, and the results of protein-protein interaction indicated the hub role of UGT1A1 and CYP3A4. Conventional drugs such as erlotinib, nilotinib, tamoxifen, theophylline, venlafaxine, and verapamil were associated with GF and CHs via multiple drug transporters and drug-metabolizing enzymes. Remarkably, GF and CHs shared 48 potential active compounds, among which naringenin, tangeretin, nobiletin, and apigenin possessed more interactions with targets. Drug metabolism by cytochrome P 450 stood out in the mutual mechanism of GF and CHs. Mol. docking was utilized to elevate the protein-ligand binding potential of naringenin, tangeretin, nobiletin, and apigenin with UGT1A1 and CYP3A4. Furthermore, in vitro experiments demonstrated their regulating effect. Overall, this approach provided predictions on the HDIs of CHs, and they were tentatively verified through mol. docking and cell tests. Moreover, there is a demand for clin. and exptl. evidence to support the prediction. This study involved multiple reactions and reactants, such as Octyl acetate (cas: 112-14-1Formula: C10H20O2).
Octyl acetate (cas: 112-14-1) belongs to esters. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. Liquid esters of low volatility serve as softening agents for resins and plastics. Esters also include many industrially important polymers. Polymethyl methacrylate is a glass substitute sold under the names Lucite and Plexiglas; polyethylene terephthalate is used as a film (Mylar) and as textile fibres sold as Terylene, Fortrel, and Dacron.Formula: C10H20O2
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Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics