Model-Informed Drug Development: In Silico Assessment of Drug Bioperformance following Oral and Percutaneous...

Area of Science:

• Pharmacology and Pharmaceutics
• Computational Biology
• Drug Delivery Systems

Background:

• The pharmaceutical industry faces pressures to accelerate drug development amidst regulatory and market challenges.
• Model-informed drug development (MIDD) is crucial for optimizing decision-making by quantitatively modeling drug performance and clinical outcomes.
• Understanding drug dissolution, release, and membrane permeation is key to successful drug development.

Purpose of the Study:

• To review the mechanisms governing drug dissolution, release, and permeation through biological membranes.
• To emphasize the utility of in silico models for simulating these pharmacokinetic processes.
• To highlight advanced modeling strategies and emerging technologies in drug development.

Main Methods:

• Review of advanced compartmental absorption models for oral drug delivery kinetics.
• Description of quantitative structure-permeation relationships and molecular dynamics simulations for topical/transdermal delivery.
• Exploration of diverse modeling strategies, from mechanistic to empirical equations.

Main Results:

• Compartmental absorption models offer insights into oral drug absorption kinetics.
• In silico methods effectively predict drug permeation for topical and transdermal applications.
• Emerging tools like AI and advanced imaging enhance predictive modeling capabilities.

Conclusions:

• MIDD provides a robust framework for understanding drug performance and clinical outcomes.
• A variety of in silico models are essential for simulating and predicting drug behavior.
• The integration of AI and advanced analytical techniques represents the future of drug development modeling.