In all the articles in Acta Mechanica Solida Sinica,Volume 31,Issues 1-4the copyright is incorrectly displayed as "The Chinese Society of Theoretical and Applied Mechanics and Technology "where it should be ...In all the articles in Acta Mechanica Solida Sinica,Volume 31,Issues 1-4the copyright is incorrectly displayed as "The Chinese Society of Theoretical and Applied Mechanics and Technology "where it should be "The Chinese Society of Theoretical and Applied Mechanics".展开更多
文摘In all the articles in Acta Mechanica Solida Sinica,Volume 31,Issues 1-4the copyright is incorrectly displayed as "The Chinese Society of Theoretical and Applied Mechanics and Technology "where it should be "The Chinese Society of Theoretical and Applied Mechanics".
文摘通过药代动力学筛选一枝黄花化合物,在TCMSP(中药系统药理学数据库)及Swiss Target Prediction数据库查找对应靶蛋白,与Genecard数据库检索的antibacterial相关靶蛋白取交集,构建活性成分-靶点-抗菌网络及蛋白质作用网络(protein protein interaction network,PPI),对网络进行拓扑学分析并利用分子对接的方法验证分析结果。共筛选到11种活性化合物和对应的69种靶蛋白,筛选到10种hub蛋白及其对应的化合物,其中包括TNF、IL6、IL1B和TLR4等。将靶蛋白进行GO(gene ontology)与KEGG(kyoto encyclopedia of genes and genome)注释和富集分析,GO富集结果显示对细菌来源生物分子的响应、活性氧代谢和cytokine因子活性调节是最为重要的过程。KEGG分析结果表明最富集的通路是Toll-like receptor(TLR)信号途径。分子对接结果表明槲皮素和山柰酚与TNF与PTGS2蛋白具有高度对接能力,其affinity值均低于-31.38 kJ/mol,验证了分析结果的准确性。本研究揭示了一枝黄花活性物质化合物抗菌的蛋白靶点及其部分机制,为深入研究其抗菌分子机制提供了依据。
