ArticleProceedings of the National Academy of Sciences of the United States of America2017
Data-based modeling of drug penetration relates human skin barrier function to the interplay of diffusivity and free-energy profiles.
Article in Proceedings of the National Academy of Sciences of the United States of America, 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 14 papers.
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Who cites it
14 citing papers in PubMed, 52 citations in OpenAlex.
- Scanning Transmission Soft X-Ray Microscopy Probes Topical Drug Delivery of Rapamycin Facilitated by Microneedles.Chemphyschem : a European journal of chemical physics and physical chemistry · 2025Article
- Looking to the Future: Drug Delivery and Targeting in the Prophylaxis and Therapy of Severe and Chronic Diseases.Handbook of experimental pharmacology · 2024Article
- Visualization of Nanocarriers and Drugs in Cells and Tissue.Handbook of experimental pharmacology · 2024Article
- Outcomes of multifarious selection on the evolution of visual signals.Proceedings. Biological sciences · 2023Article
- Masticatory system-inspired microneedle theranostic platform for intelligent and precise diabetic management.Science advances · 2022Article
- A Dual Fluorescence-Spin Label Probe for Visualization and Quantification of Target Molecules in Tissue by Multiplexed FLIM-EPR Spectroscopy.Angewandte Chemie (International ed. in English) · 2021Article
- Article
- Particle Diffusivity and Free-Energy Profiles in Hydrogels from Time-Resolved Penetration Data.Biophysical journal · 2021Article
- Nanocrystals for Improved Drug Delivery of Dexamethasone in Skin Investigated by EPR Spectroscopy.Pharmaceutics · 2020Article
- Modeling of Drug Diffusion Based on Concentration Profiles in Healthy and Damaged Human Skin.Biophysical journal · 2019Article
- Predicting skin permeability using the 3D-RISM-KH theory based solvation energy descriptors for a diverse class of compounds.Journal of computer-aided molecular design · 2019Article
- Protein diffusion from microwells with contrasting hydrogel domains.APL bioengineering · 2019Article
- Screening for potential prophylactics targeting sporozoite motility through the skin.Malaria journal · 2018Article
- The Influence of Microneedles on the Percutaneous Penetration of Selected Antihypertensive Agents: Diltiazem Hydrochloride and Perindopril Erbumine.Current drug delivery · 2018Article
Corrections and comments
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Authors and funding
12 authors at 3 institutions in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Based on experimental concentration depth profiles of the antiinflammatory drug dexamethasone in human skin, we model the time-dependent drug penetration by the 1D general diffusion equation that accounts for spatial variations in the diffusivity and free energy. For this, we numerically invert the diffusion equation and thereby obtain the diffusivity and the free-energy profiles of the drug as a function of skin depth without further model assumptions. As the only input, drug concentration profiles derived from X-ray microscopy at three consecutive times are used. For dexamethasone, skin barrier function is shown to rely on the combination of a substantially reduced drug diffusivity in the stratum corneum (the outermost epidermal layer), dominant at short times, and a pronounced free-energy barrier at the transition from the epidermis to the dermis underneath, which determines the drug distribution in the long-time limit. Our modeling approach, which is generally applicable to all kinds of barriers and diffusors, allows us to disentangle diffusivity from free-energetic effects. Thereby we can predict short-time drug penetration, where experimental measurements are not feasible, as well as long-time permeation, where ex vivo samples deteriorate, and thus span the entire timescales of biological barrier functioning.
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