5 research outputs found

    DataSheet1_Elucidation of the mechanism of action of ailanthone in the treatment of colorectal cancer: integration of network pharmacology, bioinformatics analysis and experimental validation.ZIP

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    Background: Ailanthone, a small compound derived from the bark of Ailanthus altissima (Mill.) Swingle, has several anti-tumour properties. However, the activity and mechanism of ailanthone in colorectal cancer (CRC) remain to be investigated. This study aims to comprehensively investigate the mechanism of ailanthone in the treatment of CRC by employing a combination of network pharmacology, bioinformatics analysis, and molecular biological technique.Methods: The druggability of ailanthone was examined, and its targets were identified using relevant databases. The RNA sequencing data of individuals with CRC obtained from the Cancer Genome Atlas (TCGA) database were analyzed. Utilizing the R programming language, an in-depth investigation of differentially expressed genes was carried out, and the potential target of ailanthone for anti-CRC was found. Through the integration of protein-protein interaction (PPI) network analysis, GO and KEGG enrichment studies to search for the key pathway of the action of Ailanthone. Then, by employing molecular docking verification, flow cytometry, Transwell assays, and Immunofluorescence to corroborate these discoveries.Results: Data regarding pharmacokinetic parameters and 137 target genes for ailanthone were obtained. Leveraging The Cancer Genome Atlas database, information regarding 2,551 differentially expressed genes was extracted. Subsequent analyses, encompassing protein–protein interaction network analysis, survival analysis, functional enrichment analysis, and molecular docking verification, revealed the PI3K/AKT signaling pathway as pivotal mediators of ailanthone against CRC. Additionally, the in vitro experiments indicated that ailanthone substantially affects the cell cycle, induces apoptosis in CRC cells (HCT116 and SW620 cells), and impedes the migration and invasion capabilities of these cells. Immunofluorescence staining showed that ailanthone significantly inhibited the phosphorylation of AKT protein and suppressed the activation of the PI3K/AKT signaling pathway, thereby inhibiting the proliferation and metastasis of CRC cells.Conclusion: Therefore, our findings indicate that Ailanthone exerts anti-CRC effects primarily by inhibiting the activation of the PI3K/AKT pathway. Additionally, we propose that Ailanthone holds potential as a therapeutic agent for the treatment of human CRC.</p

    DataSheet2_Elucidation of the mechanism of action of ailanthone in the treatment of colorectal cancer: integration of network pharmacology, bioinformatics analysis and experimental validation.ZIP

    No full text
    Background: Ailanthone, a small compound derived from the bark of Ailanthus altissima (Mill.) Swingle, has several anti-tumour properties. However, the activity and mechanism of ailanthone in colorectal cancer (CRC) remain to be investigated. This study aims to comprehensively investigate the mechanism of ailanthone in the treatment of CRC by employing a combination of network pharmacology, bioinformatics analysis, and molecular biological technique.Methods: The druggability of ailanthone was examined, and its targets were identified using relevant databases. The RNA sequencing data of individuals with CRC obtained from the Cancer Genome Atlas (TCGA) database were analyzed. Utilizing the R programming language, an in-depth investigation of differentially expressed genes was carried out, and the potential target of ailanthone for anti-CRC was found. Through the integration of protein-protein interaction (PPI) network analysis, GO and KEGG enrichment studies to search for the key pathway of the action of Ailanthone. Then, by employing molecular docking verification, flow cytometry, Transwell assays, and Immunofluorescence to corroborate these discoveries.Results: Data regarding pharmacokinetic parameters and 137 target genes for ailanthone were obtained. Leveraging The Cancer Genome Atlas database, information regarding 2,551 differentially expressed genes was extracted. Subsequent analyses, encompassing protein–protein interaction network analysis, survival analysis, functional enrichment analysis, and molecular docking verification, revealed the PI3K/AKT signaling pathway as pivotal mediators of ailanthone against CRC. Additionally, the in vitro experiments indicated that ailanthone substantially affects the cell cycle, induces apoptosis in CRC cells (HCT116 and SW620 cells), and impedes the migration and invasion capabilities of these cells. Immunofluorescence staining showed that ailanthone significantly inhibited the phosphorylation of AKT protein and suppressed the activation of the PI3K/AKT signaling pathway, thereby inhibiting the proliferation and metastasis of CRC cells.Conclusion: Therefore, our findings indicate that Ailanthone exerts anti-CRC effects primarily by inhibiting the activation of the PI3K/AKT pathway. Additionally, we propose that Ailanthone holds potential as a therapeutic agent for the treatment of human CRC.</p

    Synthesis of Zirconium Modified Spherical Mesostructured Cellular Silica Foams and Its Hydrodesulfurization Performance for FCC Diesel

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    Zr modified spherical mesostructured cellular silica foams (MCFs) with different Zr contents were successfully synthesized via an incipient wetness impregnation method. The characterization results of FTIR, SEM, and SAXS indicated that zirconium was fabricated into the silicon framework; meanwhile, the parent sphere-like morphology and topological structure were retained. Additionally, BET results showed that the as-synthesized materials possessed ultralarge pore volume (1.56 cm<sup>3</sup>/g), large pore size (15.9 nm), and high surface area (467 m<sup>2</sup>/g) when the weight percentage of Zr in the support was 12.6%, demonstrating that MCFs would be an alternative support for hydrotreating catalyst. Furthermore, the corresponding supported NiMo/Zr-MCFs catalysts were well-characterized. It was found that zirconium as an electronic promoter not only facilitated the formation of NiMoO<sub>4</sub> precursor but also enhanced the redox ability of the catalysts as well as brought Brønsted and Lewis acid sites into MCFs, which were conducive to the hydrodesulfurization (HDS) performance. Then the catalyst activities were evaluated by using FCC diesel as feedstock, in which NiMo/Zr-MCFs-6.9 catalyst (Si/Zr = 20) had the highest hydrodesulfurization (97.3%) and hydrodenitrogenation efficiencies (98.1%); correspondingly, the main reasons could be ascribed to its desirable textural property, suitable redox ability, appropriate dispersion degree of active metals, and moderate acid property

    The Synthesis of Al-SBA-16 Materials with a Novel Method and Their Catalytic Application on Hydrogenation for FCC Diesel

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    A series of aluminum modified Al-SBA-16 materials with different Si and Al molar ratios (50, 40, 30, 20, and 10) were successfully synthesized through a two-step preparation method using aluminum isopropoxide as Al source. Meanwhile, the corresponding catalysts were prepared by impregnating Ni and Mo active metals on the as-synthesized samples. The hydrogenation performances of the obtained catalysts were tested under the same conditions in a fixed-bed microreactor by using FCC diesel as feedstock. Furthermore, the hydrogenation reaction conditions over the NiMo/​AS-20 (Al-SBA-16 with a Si/Al ratio of 20) catalyst were studied and optimized. The as-synthesized materials and their corresponding NiMo catalysts were characterized by N<sub>2</sub> adsorption and desorption, X-ray diffraction, transmission electron microscopy, scanning electron microscopy, Fourier transform infrared spectroscopy, <sup>27</sup>Al MAS NMR, UV–vis diffuse reflectance spectroscopy, temperature-programmed reduction, Pyridine Fourier transform infrared spectroscopy, and Raman spectra. It was found that Al-SBA-16 materials with highly ordered structures were successfully prepared through the above method. The catalysts evaluation results exhibited that, as the Si/Al ratio reached 20, NiMo/​AS-20 presented the highest hydrodesulfurization and hydrodenitrogenation of 97.0% and 96.1%, respectively. The main reasons were ascribed to that the support of AS-20 possessed the relatively excellent textural properties; NiMo/​AS-20 possessed the highest Mo­(Oh) distribution and weakest interaction between the AS-20 support and NiMo active metal species, which would lead to a high hydrogenation activity. The NiMo/​AS-20 catalyst presented better acidity properties comparing with other NiMo/​Al-SBA-16 catalysts. In addition, the evaluation result displayed that the hydrogenation performance had a trend to increase with the value of H<sub>2</sub> pressure, temperature, H<sub>2</sub>/oil, and residence time
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