分子动力学模拟引导的自组装纳米药物用于光动力和乏氧导向联合治疗
An Engineered Design of Self-Assembly Nanomedicine Guided by Molecular Dynamic Simulation for Photodynamic and Hypoxia-Directed Therapy
Yu Wang, Haotian Zhang, Jianwei Wang, Guping Tang, Hongzhen Bai
Journal:MOLECULAR PHARMACEUTICS
IF:4.9
DOI:10.1021/acs.molpharmaceut.2c01079
PMID:36848620
Published:2023-02-27
research field:分子生物学免疫学生物化学
Abstract
To overcome the hypoxia barrier in tumor therapy, a hypoxia-activated prodrug of docetaxel (DTX-PNB) was synthesized and self-assembled with indocyanine green (ICG), forming a combination nanomedicine ISDNN. With the guidance of molecular dynamic simulation, the ISDNN construction could be accurately controlled, achieving uniform size distribution and high drug loading up to 90%. Within the hypoxic tumor environment, ISDNN exerted ICG-mediated photodynamic therapy and aggravated hypoxia to boost DTX-PNB activation for chemotherapy, enabling enhanced antitumor efficacy.
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