Molecular mechanism of Gleditsiae Spina for the treatment of high-grade serous ovarian cancer based on network pharmacology and pharmacological experiments was written by Zhang, Boran;Dan, Wenchao;Zhang, Ganlin;Wang, Xiaomin. And the article was included in BioMed Research International in 2022.Computed Properties of C11H12N2O2 This article mentions the following:
Gleditsiae Spina, widely used in traditional Chinese medicine, has a good curative effect on malignant tumors such as ovarian cancer, but the mechanism is not clear. So, we aimed to analyze the pharmacol. mechanism of Gleditsiae Spina in the treatment of high-grade serous ovarian cancer (HGSC) based on network pharmacol. and biol. experiments The main active ingredients of Gleditsiae Spina were identified by high performance liquid chromatog. (HPLC) and mass spectrometry (MS), and the active ingredients were performed by ADME screening. The component targets of Gleditsiae Spina were screened using the PharmMapper platform, and differentially expressed genes in normal and HGSC tissues were identified through the GEO database. Thereafter, the network of “active ingredient-targets” was constructed by cytoscape 3.7.2 software. The protein-protein interaction network was established by the BioGenet database to mine the potential protein function. Biol. processes and pathways were analyzed through Gene Ontol. and Kyoto Encyclopedia of Genes and Genomes anal. The binding ability of the core components of the Gleditsiae Spina and the core target of HGSC was verified by mol. docking and mol. dynamics simulation, and the therapeutic effect of Gleditsiae Spina was proved in vitro through cytotoxicity experiments The effect of Gleditsiae Spina on the core pathway is obtained by western blotting. Gleditsiae Spina had cytotoxicity on HGSC based on network pharmacol. and biol. experiments Luteolin, genistein, D-(+)-tryptophan, ursolic acid, and berberine are the identified core active ingredients of Gleditsiae Spina for regulating HGSC, with HPSE, PI3KCA, AKT1, and CTNNB1as the ideal targets. The prediction results were verified by mol. docking, mol. dynamic simulation, cell viability, and western blot anal. Gleditsiae Spina mainly downregulates the expression of heparanase and 尾-catenin to affect the composition of tumor cytoplasmic matrix and can regulate the PI3K-AKT pathway, integrating multiple targets and multiple pathways to play a therapeutic role. It also provides a theor. basis for the prevention of ovarian cancer and its treatment using traditional Chinese medicine in the future. In the experiment, the researchers used many compounds, for example, H-D-Trp-OH (cas: 153-94-6Computed Properties of C11H12N2O2).
H-D-Trp-OH (cas: 153-94-6) belongs to indole derivatives. Indole produced by Proteus, Pseudomonas, Escherichia and other species was shown to be a growth promoting factor in Arabidopsis thaliana.Indole was synthesized in moderate yield via an o-naphthoquinone catalyzed tandem cross-coupling of substituted aniline and benzylamine under aerobic oxidation conditions.Computed Properties of C11H12N2O2
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Indole alkaloid derivatives as building blocks of natural products from聽Bacillus thuringiensis聽and聽Bacillus velezensis聽and their antibacterial and antifungal activity study,
Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles