Huimin Huang,Yuandong Wu,Shuangsheng Cheng,Shaoguo Wen,Yi Qu,Thomas Doert,Dajiang Mei
A new bismuth(III) complex [(1,10-phen)Bi(C 2 O 4 ) 1.5 ], 1,10-phen = 1,10-phenanthroline, was synthesized with oxalate and phen ligands without by-products. The title complex was characterized by single crystal X-ray diffraction, FT-infrared Spectrum, differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA). 2D bismuth - oxalate - bridged layers are formed by oxalate ligands. Phen ligands are embedded in it which further stabilize the structure. The luminescence properties show that [(1,10-phen)Bi(C 2 O 4 ) 1.5 ] can emit blue-green fluorescence, and π - π stacking and ligand-to-metal-charge transfer (LMCT) are predominant in it, which may have potential applications in the fields of crystal luminescent materials.
Bacterial blight (BB) of rice caused byXanthomonas oryzaepathovar oryzae (Xoo) is a serious global rice disease. Due to increasing bactericide resistance, developing new inhibitors is urgent. Drug repositioning offers a potential strategy to address this issue. In this study, we integrated transcriptional data into a genome-scale metabolic model (GSMM) to screen novel anti-Xootargets. Two RNA-seq datasets (before and after bismerthiazol treatment) were used to constrain the GSMM and simulate metabolic processes. Metabolic fluxes were calculated using parsimonious flux balance analysis (pFBA) identifying reactions with significant changes for target screening. Glutathione oxidoreductase (GSR) was selected as a potential anti-Xootarget and validated through antibacterial experiments. Virtual screening based on the target identified DB12411 as a lead compound with the potential for new antibacterial agents. This approach demonstrates that integrating metabolic networks and transcriptional data can aid in both understanding antibacterial mechanisms and discovering novel drug targets.
危险品化学品经营许可证（带存储）