Strategies to prevent water soluble drug leakage from nanovesicles in blood circulation: A coarse-grained molecular study

Feng, Yun Hao; Guo, Wei; Li, Xiaobin; Liu, Jiahui; Nosrati-Siahmazgi, Vahideh; Toolabi, Maryam; Fei, Wen Min; Cui, Yong; Chen, Bo Zhi; Shahbazi, Mohammad‐Ali; Zhang, Li Juan; Zhang, Can Yang; Guo, Xin Dong

doi:10.1016/j.ces.2023.118715

Cited by 5 publications

(3 citation statements)

References 63 publications

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“…17,18 Due to their peculiar performances, nanogels have attracted great interest in a variety of fields and have been applied in biochemistry, biomedicine, photonics, biomimetics, pollution regulation, cosmetics, etc. 12,16,19,20 Inevitably, researchers have utilized nanogels to cope with membrane fouling, especially where cake layer fouling is unavoidable, such as membrane bioreactors. 21 Aksoy et al adopted stimuliresponsive microgels codeposited with foulant during ultrafiltration as a fouling removal strategy; they exploited microgels' temperature and salt-concentration responsive properties to induce the volume changes and achieve better fouling reversibility, namely, better fouling removal effect.…”

Section: ■ Introductionmentioning

confidence: 99%

“…Nanogels are nanometer-sized hydrogel nanoparticles (usually with the size up to 100 nm, but the accepted dimensions register up to 200 nm or more with the range of 1–1000 nm), with three-dimensional structures formed by hydrophilic or amphiphilic cross-linked polymer chains through chemical or physical methods. , Extraordinarily, nanogels generally feature a stimuli-responsive property for microenvironmental factors, such as pH, temperature, salt concentration, etc., accompanied by structure and/or property changes. , Due to their peculiar performances, nanogels have attracted great interest in a variety of fields and have been applied in biochemistry, biomedicine, photonics, biomimetics, pollution regulation, cosmetics, etc. ,,, Inevitably, researchers have utilized nanogels to cope with membrane fouling, especially where cake layer fouling is unavoidable, such as membrane bioreactors . Aksoy et al adopted stimuli-responsive microgels codeposited with foulant during ultrafiltration as a fouling removal strategy; they exploited microgels’ temperature and salt-concentration responsive properties to induce the volume changes and achieve better fouling reversibility, namely, better fouling removal effect .…”

Section: Introductionmentioning

confidence: 99%

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Zwitterion-Modified Nanogel Responding to Temperature and Ionic Strength: A Dissipative Particle Dynamics Simulation

Miao,

Qin,

Zhou

et al. 2023

Langmuir

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The self-assembly and stimuli-responsive properties of nanogel poly(n-isopropylacrylamide) (p(NIPAm)) and zwitterion-modified nanogel poly(n-isopropylacrylamide-co-sulfobetainemethacrylate) (p(NIPAm-co-SBMA)) were explored by dissipative particle dynamics simulations. Simulation results reveal that for both types of nanogel, it is beneficial to form spherical nanogels at polymer concentrations of 5–10%. When the chain length (L) elongates from 10 to 40, the sizes of the nanogels enlarge. As for the p(NIPAm) nanogel, it shows thermoresponsiveness; when it switches to the hydrophilic state, the nanogel swells, and vice versa. The zwitterion-modified nanogel p(NIPAm-co-SBMA) possesses thermoresponsiveness and ionic strength responsiveness concurrently. At 293 K, both hydrophilic p(NIPAm) and superhydrophilic polysulfobetaine methacrylate (pSBMA) could appear on the outer surface of the nanogel; however, at 318 K, superhydrophilic pSBMA is on the outer surface to cover the hydrophobic p(NIPAm) core. As the temperature rises, the nanogel shrinks and remains antifouling all through. The salt-responsive property can be reflected by the nanogel size; the volumes of the nanogels in saline systems are larger than those in salt-free systems as the ionic condition inhibits the shrinkage of the zwitterionic pSBMA. This work exhibits the temperature-responsive and salt-responsive behavior of zwitterion-modified-pNIPAm nanogels at the molecular level and provides guidance in antifouling nanogel design.

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Section: ■ Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Zwitterion-Modified Nanogel Responding to Temperature and Ionic Strength: A Dissipative Particle Dynamics Simulation

Miao,

Qin,

Zhou

et al. 2023

Langmuir

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“…Most drug delivery-based nanocarriers (liposomes, porous materials, etc.) cannot be used because the drugs leak during blood circulation before reaching their target sites, resulting in lower accumulation of drugs at tumor sites and lower therapeutic efficacy ( Chen et al, 2020 ; Feng et al, 2023 ). Besides, monitoring the therapeutic prognosis or therapeutic delivery of drugs is highly desirable to further promote therapeutic efficacy ( Solorio et al, 2010 ; Haris et al, 2015 ; Ojha et al, 2015 ; Gao et al, 2018 ; Thangudu et al, 2021 ).…”

Section: Introductionmentioning

confidence: 99%

Modified gefitinib conjugated Fe3O4 NPs for improved delivery of chemo drugs following an image-guided mechanistic study of inner vs. outer tumor uptake for the treatment of non-small cell lung cancer

Thangudu,

Tsai,

Lin

et al. 2023

Front. Bioeng. Biotechnol.

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Gefitinib (GEF) is an FDA-approved anti-cancer drug for the first-line treatment of patients with metastatic non-small cell lung cancer (NSCLC). However, the efficacy of anticancer drugs is limited due to their non-specificity, lower accumulation at target sites, and systemic toxicity. Herein, we successfully synthesized a modified GEF (mGEF) drug and conjugated to Iron oxide nanoparticles (Fe3O4 NPs) for the treatment of NSCLC via magnetic resonance (MR) image-guided drug delivery. A traditional EDC coupling pathway uses mGEF to directly conjugate to Fe3O4 NPs to overcom the drug leakage issues. As a result, we found in vitro drug delivery on mGEF- Fe3O4 NPs exhibits excellent anticancer effects towards the PC9 cells selectively, with an estimated IC 50 value of 2.0 μM. Additionally, in vivo MRI and PET results demonstrate that the NPs could accumulate in tumor-specific regions with localized cell growth inhibition. Results also revealed that outer tumor region exhibiting a stronger contrast than the tinner tumor region which may due necrosis in inner tumor region. In vivo biodistribution further confirms Fe3O4 NPs are more biocompatible and are excreated after the treatment. Overall, we believe that this current strategy of drug modification combined with chemical conjugation on magnetic NPs will lead to improved cancer chemotherapy as well as understanding the tumor microenvironments for better therapeutic outcomes.

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Why insulin aspart and insulin degludec exhibit distinct release mechanisms

Li,

Feng,

Jiao

et al. 2024

AIChE Journal

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Exploring the molecular mechanisms underlying insulin analogs is important for protein engineering to design innovative drug proteins. Insulin aspart (IAsp) and insulin degludec (IDeg) are representative examples of insulin analogs with distinct release profiles synthesized by targeted mutagenesis in protein engineering. Despite their importance in diabetes treatment, there remains a gap in our understanding of the molecular basis for their differential release mechanisms. In this study, ordinary molecular dynamics simulation and steered molecular dynamics are utilized to investigate the structural stability, solubility analysis, and monomer interactions of these insulins, with the aim to explain the mesoscale differences between the two insulin release mechanisms. Simulation findings have further been validated through experimental verification, shedding light on the intricate mechanisms underlying insulin release and providing valuable insights into pharmaceutical implications and potential advancements in the design of insulin therapy.

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Strategies to prevent water soluble drug leakage from nanovesicles in blood circulation: A coarse-grained molecular study

Cited by 5 publications

References 63 publications

Zwitterion-Modified Nanogel Responding to Temperature and Ionic Strength: A Dissipative Particle Dynamics Simulation

Zwitterion-Modified Nanogel Responding to Temperature and Ionic Strength: A Dissipative Particle Dynamics Simulation

Modified gefitinib conjugated Fe3O4 NPs for improved delivery of chemo drugs following an image-guided mechanistic study of inner vs. outer tumor uptake for the treatment of non-small cell lung cancer

Why insulin aspart and insulin degludec exhibit distinct release mechanisms

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