ArticleDrug delivery2026
Modelling nano-particle-PEG-NLS complexes for nucleus-targeted drug delivery: revisiting the multi-dynein nano-cargo transport on microtubules.
Article in Drug delivery, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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6 authors.
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Abstract
Efficient transport to the nuclear envelope is a prerequisite for many nucleus-targeted drug delivery strategies. We develop an enhanced, energy-based simulation of spherical nanoparticle (NP) complexes hauled by multiple dynein motors via flexible polymer linkers, aimed at deriving design rules for nucleus-directed delivery. The model extends prior work by treating dynein as a semi-flexible polymer and enforcing path-wise steric exclusion along full stepping trajectories. Event propensities follow a Monte-Carlo scheme with energies that couple linker entropy, dynein bending, and binding enthalpy; post-event mechanical relaxation uses gradient descent. We compare our model results to recent motility assays of spherical NPs decorated with polyethylene-glycol (PEG) polymers, each ending with a nuclear-localisation-signal (NLS) peptide that can recruit dynein from the cytoplasm. With standardised biophysical parameters, the model captures the observed dependence on motor number: longitudinal velocity decreases with dynein load, whereas run-distance and run-time increase. For mean NP-bound motors between 1 and 6, the model results lie within the experimental 95% confidence intervals. A systematic scan of polymer contour length, for a 20 nm radius cargo hauled by six motors, reveals a clear optimum of the run-time and run-length at about 40 nm length, despite a reduction in velocity. Similar results, for different cargo sizes and motor loading, can be obtained using our model-based computer code. They can provide a quantitative basis for tuning linker contour length (and, secondarily, motor loading by tuning PEG-NLS density) when engineering NP vehicles that exploit native microtubule transport for nucleus-directed delivery.
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