COMPUTER-AIDED BIOPHARMACEUTICAL CHARACTERIZATION (IN VITRO–IN VIVO CORRELATION)

Computer-aided biopharmaceutical characterization, particularly through In Vitro–In Vivo Correlation (IVIVC), has emerged as a powerful tool in modern drug development. By integrating computational modeling with experimental data, researchers can simulate drug absorption, predict bioavailability, and optimize formulations—reducing reliance on extensive in vivo studies.

• IVIVC Definition: A predictive mathematical model that links in vitro drug dissolution data with in vivo pharmacokinetic behavior, enabling virtual bioequivalence assessments.
• Simulation Tools: Software like GastroPlus™, SimCYP, and PK-Sim® use physiologically based pharmacokinetic (PBPK) models to simulate gastrointestinal drug absorption and plasma concentration profiles.
• Model Construction: Incorporates drug physicochemical properties, GI transit times, enzymatic degradation, and transporter activity to build dynamic absorption models.
• Virtual Trials: Enables prediction of food effects, formulation performance, and dose adjustments without conducting physical trials.
• Biowaiver Support: IVIVC models can justify waiving certain clinical studies by demonstrating equivalence through simulation, saving time and resources.

Computer-aided IVIVC enhances formulation strategy, supports regulatory submissions, and accelerates time-to-market. As machine learning and AI continue to evolve, these models will become more accurate and personalized, paving the way for adaptive drug development.