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Article

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

1
School of Chemical Engineering and Advanced Materials, The University of Adelaide, Adelaide, SA 5005, Australia
2
State Key Laboratory of Biochemistry Engineering, Institute of Process Engineering, Chinese Academy of Sciences, Beijing 100190, China
3
Department of Chemical Engineering, Brunel University London, London UB8 3PH, UK
4
School of Chemical Engineering), Sungkyunkwan University (SKKU), Suwon 16419, Korea
*
Author to whom correspondence should be addressed.
Biosensors 2021, 11(11), 444; https://doi.org/10.3390/bios11110444
Received: 13 October 2021 / Revised: 3 November 2021 / Accepted: 9 November 2021 / Published: 11 November 2021
(This article belongs to the Special Issue Nanoprobes for Tumor Theranostics)
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. View Full-Text
Keywords: ferritin; drug delivery; thermally induced drug loading; computational analysis ferritin; drug delivery; thermally induced drug loading; computational analysis
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MDPI and ACS Style

Yin, S.; Liu, Y.; Dai, S.; Zhang, B.; Qu, Y.; Zhang, Y.; Choe, W.-S.; Bi, J. Mechanism Study of Thermally Induced Anti-Tumor Drug Loading to Engineered Human Heavy-Chain Ferritin Nanocages Aided by Computational Analysis. Biosensors 2021, 11, 444. https://doi.org/10.3390/bios11110444

AMA Style

Yin S, Liu Y, Dai S, Zhang B, Qu Y, Zhang Y, Choe W-S, Bi J. Mechanism Study of Thermally Induced Anti-Tumor Drug Loading to Engineered Human Heavy-Chain Ferritin Nanocages Aided by Computational Analysis. Biosensors. 2021; 11(11):444. https://doi.org/10.3390/bios11110444

Chicago/Turabian Style

Yin, Shuang, Yongdong Liu, Sheng Dai, Bingyang Zhang, Yiran Qu, Yao Zhang, Woo-Seok Choe, and Jingxiu Bi. 2021. "Mechanism Study of Thermally Induced Anti-Tumor Drug Loading to Engineered Human Heavy-Chain Ferritin Nanocages Aided by Computational Analysis" Biosensors 11, no. 11: 444. https://doi.org/10.3390/bios11110444

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