Abstract

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.

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