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Related Concept Videos

Factors Affecting Dissolution: Polymorphism, Amorphism and Pseudopolymorphism01:21

Factors Affecting Dissolution: Polymorphism, Amorphism and Pseudopolymorphism

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Polymorphism refers to the existence of a drug substance in multiple crystalline forms, known as polymorphs. Recently, this term has been expanded to include solvates (forms containing a solvent), amorphous forms (non-crystalline forms), and desolvated solvates (forms from which the solvent has been removed).
Some polymorphic crystals possess lower aqueous solubility than their amorphous counterparts, leading to incomplete absorption. For instance, the oral suspension of Chloramphenicol, which...
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In Vitro Drug Dissolution: Alternative Methods01:17

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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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Dissolution kinetics, an essential aspect of oral drug delivery, is significantly influenced by the drug's particle size. According to the Noyes-Whitney dissolution model, the dissolution rate correlates directly with the drug's surface area. The larger the surface area, the higher the drug's solubility in water, leading to a faster drug dissolution rate. Reducing particle size increases the effective surface area, enhancing the dissolution process. Micronization and nanosizing are...
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Theories of Dissolution: Diffusion Layer Model01:15

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Dissolution, the process by which drug particles dissolve in a solvent, is explained by the diffusion layer model, a theoretical framework that simulates the absorption of oral drugs and allows us to analyze experimental data.
This process starts with a thin layer, saturated with the drug, forming at the interface between the solid and liquid. The solute then diffuses from this layer into the main solution. The Noyes-Whitney equation suggests that the rate of dissolution relies on the diffusion...
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Drug Dissolution: Requirements and Profile Comparison01:14

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The acceptance criteria for dissolution profile data are anchored in Q values, representing the percentage of drug dissolved within a specified period. This assessment unfolds in three stages:First Stage: The test passes if all six drug dosage units are equal to or greater than Q plus 5%; otherwise, the sample proceeds to the second stage.Second Stage: The average of twelve units must be equal to or greater than Q, with no unit falling below Q - 15% to pass; if not, it progresses to the final...
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In Vitro Drug Dissolution: Compendial Testing Models II01:09

In Vitro Drug Dissolution: Compendial Testing Models II

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Various dissolution methods are utilized to assess a drug’s dissolution rate, including the flow-through cell, paddle-over-disk, cylinder, and reciprocating disk methods.The flow-through cell apparatus (USP (United States Pharmacopeia) method 4) comprises a reservoir for the dissolution medium and a pump that propels the medium through the cell containing the test sample. This method is crucial for assessing modified-release dosage forms with minimally soluble active ingredients,...
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Molecular-Level Examination of Amorphous Solid Dispersion Dissolution.

Mohammad Atif Faiz Afzal1, Kristin Lehmkemper2, Ekaterina Sobich2

  • 1Materials Science, Schrödinger, LLC, Suite 1300, 101 SW Main Street, Portland, Oregon 97204, United States.

Molecular Pharmaceutics
|September 27, 2021
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Summary
This summary is machine-generated.

Molecular simulations and experiments reveal polymer microstructures and drug-polymer interactions are key to amorphous solid dispersion (ASD) dissolution. This understanding aids in optimizing drug delivery formulations.

Keywords:
CopovidoneSoluplusamorphous solid dispersioncoarse-grained molecular dynamicsdissolutiondrug delivery

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Area of Science:

  • Pharmaceutical Sciences
  • Computational Chemistry
  • Materials Science

Background:

  • Amorphous solid dispersions (ASDs) enhance oral drug delivery for poorly water-soluble small molecules.
  • Effective ASD formulation relies on drug solubility and dissolution rate, crucial for bioperformance.
  • Current ASD development often involves extensive, iterative testing.

Purpose of the Study:

  • To investigate the molecular mechanisms governing ASD dissolution behavior.
  • To evaluate the utility of molecular dynamics simulations in understanding ASD dissolution.
  • To elucidate the roles of drug-polymer interactions and polymer microstructures in dissolution.

Main Methods:

  • Dissipative particle dynamics (DPD) simulations were employed to model early and late stages of ASD dissolution.
  • Fourier transform infrared (FTIR) spectroscopy was used to analyze drug-polymer-water interactions.
  • Chromatographic techniques assessed drug and polymer release rates.

Main Results:

  • DPD simulations provided insights into the molecular-level processes during ASD dissolution.
  • FTIR and chromatography experiments confirmed the influence of polymer microstructures and drug-polymer interactions.
  • Experimental and simulation data were consistent, validating the computational approach.

Conclusions:

  • Molecular simulations, particularly DPD, offer a powerful tool for understanding ASD dissolution mechanisms.
  • Combined experimental and computational approaches are essential for detailed ASD formulation analysis.
  • This integrated strategy can significantly improve the screening, design, and optimization of ASD formulations.