Raffaini Giuseppina, Catauro Michelina
Department of Chemistry, Materials, and Chemical Engineering ''Giulio Natta'', Politecnico di Milano, Piazza L. Da Vinci 32, 20131 Milano, Italy.
Department of Engineering, University of Campania "Luigi Vanvitelli", Via Roma 29, 81031 Aversa, Italy.
Materials (Basel). 2022 Apr 8;15(8):2759. doi: 10.3390/ma15082759.
Biomaterial-based drug delivery systems for a controlled drug release are drawing increasing attention thanks to their possible pharmaceutical and biomedical applications. It is important to control the local administration of drugs, especially when the drug exhibits problems diffusing across biological barriers. Thus, in an appropriate concentration, it would be released in situ, reducing side effects due to interactions with the biological environment after implantation. A theoretical study based on Molecular Mechanics and Molecular Dynamics methods is performed to investigate possible surface interactions between the amorphous SiO surface and the ketoprofen molecules, an anti-inflammatory drug, considering the role of drug concentration. These theoretical results are compared with experimental data obtained by analyzing, through Fourier transform infrared spectroscopy (FT-IR), the interaction between the SiO amorphous surface and two percentages of the ketoprofen drug entrapped in a silica matrix obtained via the sol-gel method and dried materials. The loaded drug in these amorphous bioactive material forms hydrogen bonds with the silica surface, as found in this theoretical study. The surface interactions are essential to have a new generation of biomaterials not only important for biocompatibility, with specific structural and functional properties, but also able to incorporate anti-inflammatory agents for release into the human body.
基于生物材料的药物控释系统因其潜在的制药和生物医学应用而受到越来越多的关注。控制药物的局部给药很重要，尤其是当药物在跨越生物屏障时存在扩散问题时。因此，在适当的浓度下，药物将原位释放，减少植入后与生物环境相互作用产生的副作用。进行了一项基于分子力学和分子动力学方法的理论研究，以研究非晶态SiO表面与酮洛芬分子（一种抗炎药物）之间可能的表面相互作用，并考虑药物浓度的作用。通过傅里叶变换红外光谱（FT-IR）分析溶胶-凝胶法制备并干燥的材料中SiO非晶态表面与两种酮洛芬药物百分比之间的相互作用，将这些理论结果与实验数据进行比较。在这项理论研究中发现，这些非晶态生物活性材料中负载的药物与二氧化硅表面形成氢键。表面相互作用对于新一代生物材料至关重要，这些生物材料不仅对于具有特定结构和功能特性的生物相容性很重要，而且还能够将抗炎剂纳入人体进行释放。
