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Mechanism Study of Thermally Induced Anti-Tumor Drug Loading to Engineered Human Heavy-Chain Ferritin Nanocages Aided by Computational Analysis

文献类型：期刊论文

作者Yin, Shuang1; Liu, Yongdong2; Dai, Sheng3; Zhang, Bingyang1; Qu, Yiran1; Zhang, Yao2; Choe, Woo-Seok4; Bi, Jingxiu1
刊名BIOSENSORS-BASEL
出版日期2021-11-01
卷号11期号:11页码:17
关键词ferritin drug delivery thermally induced drug loading computational analysis
DOI10.3390/bios11110444
英文摘要Diverse drug loading approaches for human heavy-chain ferritin (HFn), a promising drug nanocarrier, have been established. However, anti-tumor drug loading ratio and protein carrier recovery yield are bottlenecks for future clinical application. Mechanisms behind drug loading have not been elaborated. In this work, a thermally induced drug loading approach was introduced to load anti-tumor drug doxorubicin hydrochloride (DOX) into HFn, and 2 functionalized HFns, HFn-PAS-RGDK, and HFn-PAS. Optimal conditions were obtained through orthogonal tests. All 3 HFn-based proteins achieved high protein recovery yield and drug loading ratio. Size exclusion chromatography (SEC) and transmission electron microscopy (TEM) results showed the majority of DOX loaded protein (protein/DOX) remained its nanocage conformation. Computational analysis, molecular docking followed by molecular dynamic (MD) simulation, revealed mechanisms of DOX loading and formation of by-product by investigating non-covalent interactions between DOX with HFn subunit and possible binding modes of DOX and HFn after drug loading. In in vitro tests, DOX in protein/DOX entered tumor cell nucleus and inhibited tumor cell growth.
WOS关键词H-FERRITIN ; TUMOR DELIVERY ; APOFERRITIN ; DOXORUBICIN ; ENCAPSULATION ; NANOPARTICLES ; PHYTOFERRITIN ; BINDING
资助项目University of Adelaide and Institute of Process Engineering, Chinese Academy of Sciences ; National Natural Science Foundation of China[21576267] ; Beijing Natural Science Foundation[2162041]
WOS研究方向Chemistry ; Science & Technology - Other Topics ; Instruments & Instrumentation
语种英语
WOS记录号WOS:000727282700001
出版者MDPI
资助机构University of Adelaide and Institute of Process Engineering, Chinese Academy of Sciences ; National Natural Science Foundation of China ; Beijing Natural Science Foundation
源URL[http://ir.ipe.ac.cn/handle/122111/51419]  
专题中国科学院过程工程研究所
通讯作者Bi, Jingxiu
作者单位1.Univ Adelaide, Sch Chem Engn & Adv Mat, Adelaide, SA 5005, Australia
2.Chinese Acad Sci, Inst Proc Engn, State Key Lab Biochem Engn, Beijing 100190, Peoples R China
3.Brunel Univ London, Dept Chem Engn, London UB8 3PH, England
4.Sungkyunkwan Univ SKKU, Sch Chem Engn, Suwon 16419, South Korea
推荐引用方式
GB/T 7714		 Yin, Shuang,Liu, Yongdong,Dai, Sheng,et al. Mechanism Study of Thermally Induced Anti-Tumor Drug Loading to Engineered Human Heavy-Chain Ferritin Nanocages Aided by Computational Analysis[J]. BIOSENSORS-BASEL,2021,11(11):17.
APA Yin, Shuang.,Liu, Yongdong.,Dai, Sheng.,Zhang, Bingyang.,Qu, Yiran.,...&Bi, Jingxiu.(2021).Mechanism Study of Thermally Induced Anti-Tumor Drug Loading to Engineered Human Heavy-Chain Ferritin Nanocages Aided by Computational Analysis.BIOSENSORS-BASEL,11(11),17.
MLA Yin, Shuang,et al."Mechanism Study of Thermally Induced Anti-Tumor Drug Loading to Engineered Human Heavy-Chain Ferritin Nanocages Aided by Computational Analysis".BIOSENSORS-BASEL 11.11(2021):17.

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来源：过程工程研究所

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