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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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Related Experiment Video

Updated: May 7, 2026

Coherent anti-Stokes Raman Scattering (CARS) Microscopy Visualizes Pharmaceutical Tablets During Dissolution

Coherent anti-Stokes Raman Scattering (CARS) Microscopy Visualizes Pharmaceutical Tablets During Dissolution

Published on: July 4, 2014

Molecular dynamic simulations of ocular tablet dissolution.

Qian Ru¹, Hala M Fadda, Chung Li

¹UCL School of Pharmacy , 29/39 Brunswick Square, London WC1N 1AX, United Kingdom.

Journal of Chemical Information and Modeling

|October 1, 2013

Summary

Molecular dynamics simulations predict drug dissolution for glaucoma filtration surgery implants. This approach correlates molecular properties with drug release, aiding preformulation when drug quantities are limited.

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Last Updated: May 7, 2026

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Development of an In Vitro Ocular Platform to Test Contact Lenses

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Published on: April 6, 2016

Area of Science:

Ophthalmology
Materials Science
Computational Chemistry

Background:

Glaucoma filtration surgery (GFS) can lead to scarring, necessitating treatments to inhibit fibrosis.
Small implantable tablets are being developed for subconjunctival delivery to prevent post-surgical scarring.
Evaluating drug dissolution at the molecular level is crucial for understanding drug behavior in the unique subconjunctival environment.

Purpose of the Study:

To investigate the molecular-level dissolution of implantable drug tablets for GFS using molecular dynamics (MD) simulations.
To correlate the chemical structure of antifibrotic drugs with their dissolution profiles under simulated nonsink conditions.
To assess the utility of MD simulations in predicting drug release for preformulation studies.

Main Methods:

Conducted MD simulations of tablet dissolution for 5-fluorouracil (5-FU) and ilomastat (an MMPi) in Simple Point Charge (SPC) water.
Simulated subconjunctival space liquid turnover by periodic removal of dissolved drug molecules and addition of fresh water.
Analyzed changes in molecular solvent accessible surface area to quantify dissolution and swelling.

Main Results:

5-fluorouracil (5-FU) tablets exhibited a 60-fold greater increase in molecular solvent accessible surface area compared to ilomastat tablets.
Tablet swelling and molecular release significantly contributed to the observed dissolution differences.
The simulated dissolution patterns demonstrated a correlation with experimentally observed drug release profiles.

Conclusions:

MD simulations can effectively predict the influence of drug molecular properties on dissolution profiles in the subconjunctival space.
This computational approach is valuable for preformulation, especially when limited drug quantities preclude traditional dissolution testing.
Molecular dynamics simulations offer a predictive tool for optimizing drug delivery systems for glaucoma treatment.