Efficient Drug Delivering of a Photodynamic Therapy Agent into Cellular Membranes Rationalized by Molecular Dynamics
Bibliographic record
Abstract
Photodynamic Therapy (PDT) represents a most attractive therapeutic strategy to reduce side effects of chemotherapy and improve the global quality of life of patients. Yet, many PDT drugs suffer from a poor bioavailability and cellular intake, and thus, drug delivery strategy should be implemented. In this letter we report the behavior of a temoporfin-based PDT drug, commercialized under the name of Foscan, complexed by two beta-cyclodextrin units in presence of a lipid bilayer. Our all atom simulations have shown the internalization of the complex and its spontaneous dissociation inside the lipid bilayer. The factors favoring penetration and dissociation have also been analyzed, together with the membrane perturbation due to the interaction with the cyclodextrin complex. Our results confirm the suitability of the encapsulation strategy for PDT, and rationalize the experimental results concerning its efficacy.
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How this classification was reachedexpand
Full frame machine prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.
Distilled classifier scores by category (both heads)
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.001 | 0.000 |
Machine scores (provisional)
The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.
Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from itClassification
machine, unvalidatedMachine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.
How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".