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Alternative drug dissolution methods include the rotating bottle, intrinsic dissolution test, peristalsis, and the Franz diffusion cell method. The rotating bottle method involves meticulously rotating tightly capped controlled-release beads in a temperature-controlled bath. Periodic decanting of samples allows for residue assay, followed by refilling with fresh medium and testing at various pH levels to emulate the gastrointestinal tract conditions.In contrast, the intrinsic dissolution test...
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Programmable molecular dethreading towards tunable drug release.

Shen Sheng1, Yuanhe Li2, Ryan Ray Yen Lee1

  • 1Department of Pharmacy and Pharmaceutical Sciences National University of Singapore 4 Science Drive 2, Singapore, Singapore.

Nature Communications
|October 23, 2025
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Summary
This summary is machine-generated.

Researchers engineered molecular machines by controlling pseudorotaxane dethreading. This breakthrough allows tunable molecular motion, paving the way for programmable drug delivery systems and advanced biomedical applications.

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Area of Science:

  • Supramolecular Chemistry
  • Materials Science
  • Nanotechnology

Background:

  • Precise control of molecular motion is crucial for developing artificial molecular machines.
  • Pseudorotaxane dethreading is a key process in interlocked architectures for regulating molecular motion.
  • Predictable and programmable control over dethreading kinetics remains a significant challenge.

Purpose of the Study:

  • To achieve systematic modulation of pseudorotaxane dethreading behavior through component engineering.
  • To establish structure-kinetic relationships governing dethreading pathways.
  • To demonstrate the potential of engineered pseudorotaxanes in drug delivery applications.

Main Methods:

  • Utilized a pseudorotaxane platform with 24-crown-8-based macrocycles and adjustable benzylic amine stoppers.
  • Performed systematic component engineering to modulate dethreading kinetics.
  • Employed crystallographic analyses and computational modeling to elucidate dethreading mechanisms.
  • Functionalized pseudorotaxane assemblies with the anticancer agent camptothecin for proof-of-concept studies.

Main Results:

  • Demonstrated continuous tunability of activation energies for dethreading within the range of 22 to 30 kcal/mol, with fine resolution.
  • Elucidated the dethreading pathway and structure-kinetic relationships using crystallographic and computational methods.
  • Showcased a consistent correlation between dethreading rates and cytotoxic potency in camptothecin-functionalized pseudorotaxanes.

Conclusions:

  • Developed a generalizable strategy for designing programmable drug delivery systems by engineering molecular machines.
  • Bridged molecular-scale mechanical motion with biological effects through controlled pseudorotaxane dethreading.
  • Laid the foundation for advanced molecular machines in biomedical applications using a novel pseudorotaxane toolkit.