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Related Concept Videos

In Vitro Drug Release Testing: Overview, Development and Validation01:10

In Vitro Drug Release Testing: Overview, Development and Validation

In vitro dissolution and drug release tests assess how quickly and how much of a drug is released from its dosage form into an aqueous medium under standardized laboratory conditions. These tests are essential tools in pharmaceutical development and quality assurance, offering insight into the drug's performance before clinical use.During formulation development, dissolution testing identifies incomplete or inconsistent drug release issues. It also supports decisions on selecting the optimal...
In Vitro Drug Dissolution: Compendial Testing Models I01:13

In Vitro Drug Dissolution: Compendial Testing Models I

Compendial dissolution methods are standardized procedures defined by pharmacopeias to evaluate the rate at which a drug dissolves in a specific medium. These methods ensure batch-to-batch consistency, enable quality control, and support the prediction of drug bioavailability. They are critical for both immediate and modified-release drug products.The apparatuses used for dissolution testing differ in their design and mechanical function, but all aim to simulate the physiological environment of...
In Vitro Drug Dissolution: Compendial Testing Models II01:09

In Vitro Drug Dissolution: Compendial Testing Models II

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, maintaining...
In Vitro Drug Dissolution: Alternative Methods01:17

In Vitro Drug Dissolution: Alternative Methods

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...
Modified-Release Drug Delivery Systems: Drug Release Characteristics01:22

Modified-Release Drug Delivery Systems: Drug Release Characteristics

Drug release from modified-release dosage forms is designed to achieve specific therapeutic effects by controlling the rate and extent of drug release. The classification of these drug release systems is based on key pharmacokinetic assumptions: drug disposition follows first-order kinetics, drug release is the rate-limiting step in absorption, and the released drug is rapidly and completely absorbed.There are four major models of drug release patterns. The first model is the slow zero-order...
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Site-Targeted Drug Delivery Systems: Polymeric Carriers

Polymeric carriers enhance targeted drug delivery by increasing efficacy while minimizing off-target effects. These carriers comprise a biodegradable polymeric backbone integrated with functional elements that enable targeting, improve physicochemical properties, and regulate drug release.Targeting MechanismsThe targeting ability of polymeric carriers is mediated by a homing device, which is a molecular recognition component designed to selectively bind to specific tissues or cells. Monoclonal...

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Encapsulation and Permeability Characteristics of Plasma Polymerized Hollow Particles
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In Vitro Release from Polymeric Core/Shell Nanoparticles through the Lens of Multiscale Modeling.

Tommaso Casalini1, Kevin Treacher2, Iain Grant3

  • 1Oral Product Development, Pharmaceutical Technology & Development, Operations, AstraZeneca, Gothenburg 11115 - 98499, Sweden.

Molecular Pharmaceutics
|April 30, 2024
PubMed
Summary

Multiscale modeling of nanoparticles for cancer therapy reveals drug release mechanisms. This approach combines molecular dynamics and macroscale models to understand drug partitioning and release kinetics, supporting experimental validation.

Keywords:
drug releasemathematical modelingmolecular dynamicsmultiscale modelingnanoparticles

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Area of Science:

  • Nanotechnology
  • Materials Science
  • Computational Chemistry

Background:

  • Nanoparticles offer advantages in cancer therapy, including drug protection and targeted delivery.
  • Mathematical modeling aids in optimizing nanoparticle design, but multiscale phenomena pose challenges.
  • Current experimental methods may not fully elucidate nanoparticle release mechanisms.

Purpose of the Study:

  • To investigate in vitro release from polymeric core/shell nanoparticles for cancer therapy.
  • To employ a multiscale modeling approach to bridge different time and length scales.
  • To elucidate the release mechanism of an active compound assembled as a hydrophobic ion pair.

Main Methods:

  • Utilized molecular dynamics simulations to track drug molecules at an atomic scale.
  • Developed a macroscale model to describe release rate and mechanism.
  • Validated the macroscale model against experimental data.

Main Results:

  • Drug is primarily partitioned in the polymer and released as a hydrophobic ion pair, not a free molecule.
  • Hydrophobic ion pairs preferentially partition into Tween 20 micelles in the release medium.
  • Multiscale modeling provided insights into release mechanisms challenging to obtain experimentally.

Conclusions:

  • The multiscale modeling approach successfully corroborated experimental findings.
  • Significant insights into the mechanisms of drug release from nanoparticles were gained.
  • This approach supports the development and validation of predictive release models for nanoparticle-based cancer therapies.