Rhenium nanoparticles for the delivery of HSP 90 inhibitors: A new drug delivery platform designed by molecular dynamics simulation
Rhenium nanoparticles for the delivery of HSP 90 inhibitors: A new drug delivery platform designed by molecular dynamics simulation
复制标题
用于递送 HSP 90 抑制剂的铼纳米粒子：分子动力学模拟设计的新型药物递送平台
DOI：
10.1016/j.molliq.2021.117995
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发表时间：
2022-01-17
影响因子：
6
通讯作者：
Ren，Cuiling
中科院分区：
文献类型：
--
作者：
Zhu，Min;Shao，Hai Ping;Ren，Cuiling
由于其在体内的可降解性，ReNP的肾清除率远高于AuNP。探讨ReNPs构建药物载体的可能性具有重要意义。本研究采用分子动力学模拟的方法，对热休克蛋白90（HSP 90）抑制剂（17-AAG和RGD）的ReNPs药物释放平台进行了评价，并对药物释放的分子机制进行了深入研究。结果表明，ReNPs平台不仅具有良好的生物相容性和稳定性，而且比AuNPs平台更适合作为HSP 90抑制剂的载体。本研究为新型纳米药物平台的设计和评价提供了完整的分子模拟解决方案，为纳米材料在生物医学中的应用研究提供了便利的技术支持。
Owing to its degradability in vivo, the renal clearance rate of ReNPs is much higher than that of AuNPs. It is of great significant to explore the possibility of ReNPs to construct drug delivery platform. In this work, ReNPs drug delivery platform for the HSP 90 inhibitors (17-AAG and RGD) was evaluated by means of molecular dynamics simulation, and the molecular mechanism of drug release was further studied. The results indicated that ReNPs platform not only possessed good biocompatibility and stability, but also was more suitable for the delivery of HSP 90 inhibitors than AuNPs platform. This study proposed a complete solution of molecular simulation for the design and evaluation of novel nanoparticle drug platforms, which could be a convenient technical support to investigate the application of nanomaterials in biomedicine.