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Mechanism Study of Thermally Induced Anti-Tumor Drug Loading to Engineered Human Heavy-Chain Ferritin Nanocages Aided by Computational Analysis
Yin, Shuang1; Liu, Yongdong2; Dai, Sheng3; Zhang, Bingyang1; Qu, Yiran1; Zhang, Yao2; Choe, Woo-Seok4; Bi, Jingxiu1
2021-11-01
Source PublicationBIOSENSORS-BASEL
Volume11Issue:11Pages:17
AbstractDiverse 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.
Keywordferritin drug delivery thermally induced drug loading computational analysis
DOI10.3390/bios11110444
Language英语
WOS KeywordH-FERRITIN ; TUMOR DELIVERY ; APOFERRITIN ; DOXORUBICIN ; ENCAPSULATION ; NANOPARTICLES ; PHYTOFERRITIN ; BINDING
Funding ProjectUniversity of Adelaide and Institute of Process Engineering, Chinese Academy of Sciences ; National Natural Science Foundation of China[21576267] ; Beijing Natural Science Foundation[2162041]
WOS Research AreaChemistry ; Science & Technology - Other Topics ; Instruments & Instrumentation
WOS SubjectChemistry, Analytical ; Nanoscience & Nanotechnology ; Instruments & Instrumentation
Funding OrganizationUniversity of Adelaide and Institute of Process Engineering, Chinese Academy of Sciences ; National Natural Science Foundation of China ; Beijing Natural Science Foundation
WOS IDWOS:000727282700001
PublisherMDPI
Citation statistics
Document Type期刊论文
Identifierhttp://ir.ipe.ac.cn/handle/122111/51420
Collection中国科学院过程工程研究所
Corresponding AuthorBi, Jingxiu
Affiliation1.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
Recommended Citation
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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