Department of Chemical Engineering, Faculty of Engineering, Islamic Azad University North Tehran Branch, Tehran, Iran.
Microbiology and Biotechnology Research Group, Research Institute of Petroleum Industry, Tehran, Iran.
Int J Biol Macromol. 2019 Jan;121:616-624. doi: 10.1016/j.ijbiomac.2018.10.027. Epub 2018 Oct 9.
Health is an important element that influences the level of development in a community. Studies show that tooth decay has been prevalent recently. Starch incorporating curcumin can serve as an alternative approach in preventing the activity of Streptococcus mutans attributed to biofilm and plaque formation on teeth. In this research, the performance of starch nanoparticle as a carrier for curcumin, a natural anti-inflammatory and a strong antioxidant agent, in decreasing dental caries was simulated. In the first stage, the conformational rearrangements of molecules and their interactions with other molecular species in a range of environments were examined via computational techniques and molecular dynamics (MD) simulation. The charts of energy, temperature, density, cell size and the radial distribution function (RDF) derived from the simulation, confirmed that during 5 initial steps there was a stable binding between the curcumin and starch in the presence of bacteria. The energy released in the starch formed nanosphere is very high, and this indicates a full reaction in the system. However, the density-decreasing trend of nanosystem suggests that it can effectively inhibit the activity of microorganism.
健康是影响社区发展水平的重要因素。研究表明，最近龋齿较为普遍。将姜黄素掺入淀粉中可以作为一种替代方法，用于预防变形链球菌的活性，因为变形链球菌会导致牙齿上生物膜和牙斑的形成。在这项研究中，模拟了淀粉纳米颗粒作为天然抗炎和强抗氧化剂姜黄素的载体在减少龋齿方面的性能。在第一阶段，通过计算技术和分子动力学（MD）模拟检查了分子的构象重排及其与各种环境中其他分子种类的相互作用。模拟得出的能量、温度、密度、细胞大小和径向分布函数（RDF）图表证实，在存在细菌的情况下，姜黄素和淀粉之间在前 5 个步骤中存在稳定的结合。淀粉形成纳米球释放的能量非常高，这表明系统中发生了完全反应。然而，纳米系统的密度下降趋势表明它可以有效抑制微生物的活性。
