当前位置: X-MOL 学术Biomass Convers. Biorefin. › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
In vitro and in silico molecular docking analysis of green synthesized tin oxide nanoparticles using brown algae species of Padina gymnospora and Turbinaria ornata
Biomass Conversion and Biorefinery ( IF 4 ) Pub Date : 2022-09-03 , DOI: 10.1007/s13399-022-03253-y
Nisha Elizabeth Sunny , A. Kaviya , Panchamoorthy Saravanan , R. Rajeshkannan , M. Rajasimman , S. Venkat Kumar

The green synthetic method is among the sustainable methods for nanoparticle synthesis. In this study, tin oxide nanoparticles (SnO2 NPs) were synthesized using an aqueous mixture of marine algae, Padina gymnospora and Turbinaria ornata. The biosynthesized SnO2 NPs were tested for their antibacterial activity by the well diffusion method against Escherichia coli and Bacillus subtilis. The antioxidant activity was estimated using the DPPH scavenging method. The synthesized nanoparticles were characterized by various techniques like X-ray diffraction, FTIR, UV–Vis diffuse reflectance spectrophotometer (DRS), and scanning electron microscopy. The average crystalline size of the nanoparticle was confirmed to be 3.7 nm and 24.6 nm synthesized from Padina gymnospora and Turbinaria ornate respectively using X-ray diffraction. The maximum zone of inhibition was noticed in the SnO2 NPs in 75 μg/mL and 100 μg/mL against E. coli and B. subtilis. The synthesized nanoparticle also showed increased antioxidant activity with an increase in concentration. Furthermore, molecular docking analysis was performed against penicillin-binding proteins (PBPs) namely PBP1a and PBP1b of Escherichia coli and PBP2dand PBP4 of Bacillus subtilis which are vital for the growth and division of bacterial cells. The green synthesized nanoparticles showed good binding energy against PBP1a (− 3.92 kcal/mol) and PBP1b (− 3.80 kcal/mol) of E. coli and PBP2d (− 3.55 kcal/mol) and PBP4 (− 3.81 kcal/mol) of B. subtilis. The present in silico analysis of SnO2NPs helps us understand the possible mechanism behind the antibacterial activity and recommends SnO2 nanoparticles as an implicit inhibitor for the selected proteins.



中文翻译:

使用 Padina gymnospora 和 Turbinaria ornata 的褐藻物种对绿色合成的氧化锡纳米颗粒进行体外和硅分子对接分析

绿色合成方法是纳米粒子合成的可持续方法之一。在这项研究中,氧化锡纳米粒子 (SnO 2 NPs) 是使用海洋藻类、裸球藻和Turbinaria ornata的水性混合物合成的。采用井扩散法对生物合成的SnO 2 NPs 对大肠杆菌枯草芽孢杆菌进行抗菌活性测试. 使用 DPPH 清除方法估计抗氧化活性。合成的纳米颗粒通过各种技术进行表征,如 X 射线衍射、FTIR、UV-Vis 漫反射分光光度计 (DRS) 和扫描电子显微镜。使用 X 射线衍射证实,纳米颗粒的平均晶体尺寸分别为 3.7 nm 和 24.6 nm,分别由Padina gymnosporaTurbinaria ornate合成。在 75 μg/mL 和 100 μg/mL的 SnO 2 NPs 中发现了对大肠杆菌枯草芽孢杆菌的最大抑制区. 合成的纳米颗粒还显示出随着浓度的增加而增加的抗氧化活性。此外,对青霉素结合蛋白 (PBP) 进行分子对接分析,即大肠杆菌的 PBP1a和 PBP1b 以及枯草芽孢杆菌的 PBP2d 和 PBP4 ,它们对细菌细胞的生长和分裂至关重要。绿色合成纳米粒子对大肠杆菌的 PBP1a (- 3.92 kcal/mol) 和 PBP1b (- 3.80 kcal/mol) 和 B 的 PBP2d (- 3.55 kcal/mol) 和 PBP4 (- 3.81 kcal/mol) 显示出良好的结合. 枯草芽孢杆菌 SnO 2 NPs 的计算机分析有助于我们了解抗菌活性背后的可能机制并推荐 SnO 2纳米颗粒作为所选蛋白质的隐含抑制剂。

更新日期:2022-09-04
down
wechat
bug