Applications of physiologically based absorption models in drug discovery and development

N Parrott, T Lave - Molecular Pharmaceutics, 2008 - ACS Publications
This article describes the use of physiologically based models of intestinal drug absorption
to guide the research and development of new drugs. Applications range from lead …

A pH-dilution method for estimation of biorelevant drug solubility along the gastrointestinal tract: application to physiologically based pharmacokinetic modeling

Y Gao, RA Carr, JK Spence, WW Wang… - Molecular …, 2010 - ACS Publications
Physiologically based pharmacokinetic (PBPK) modeling tools have become an integral part
of the modern drug discovery− development process. However, accurate PK prediction of …

The role of paracellular transport in the intestinal absorption and biopharmaceutical characterization of minoxidil

M Markovic, M Zur, S Garsiani, D Porat, S Cvijić… - Pharmaceutics, 2022 - mdpi.com
The purpose of this study was to evaluate mechanisms behind the intestinal permeability of
minoxidil, with special emphasis on paracellular transport, and elucidate the suitability of …

Physiologically based pharmacokinetic modeling in lead optimization. 1. Evaluation and adaptation of gastroplus to predict bioavailability of medchem series

PR Daga, MB Bolger, IS Haworth, RD Clark… - Molecular …, 2018 - ACS Publications
When medicinal chemists need to improve bioavailability (% F) within a chemical series
during lead optimization, they synthesize new series members with systematically modified …

PBPK modeling and simulation and therapeutic drug monitoring: Possible ways for antibiotic dose adjustment

A Ferreira, R Lapa, N Vale - Processes, 2021 - mdpi.com
Pharmacokinetics (PK) is a branch of pharmacology present and of vital importance for the
research and development (R&D) of new drugs, post-market monitoring, and continued …

Predicting feasibility and characterizing performance of extended-release formulations using physiologically based pharmacokinetic modeling

J Brown, J Crison, P Timmins - Therapeutic Delivery, 2012 - Taylor & Francis
This review presents nine case studies where physiologically based pharmacokinetic
modeling has been used in the design and development of extended-release formulations …

Physiologically based pharmacokinetic modeling in lead optimization. 2. Rational bioavailability design by global sensitivity analysis to identify properties affecting …

PR Daga, MB Bolger, IS Haworth, RD Clark… - Molecular …, 2018 - ACS Publications
When medicinal chemists need to improve oral bioavailability (% F) during lead
optimization, they systematically modify compound properties mainly based on their own …

A mechanistic approach for modeling oral drug delivery

N Pavurala, LEK Achenie - Computers & chemical engineering, 2013 - Elsevier
A drug release mechanism is combined with a Compartmental Absorption and Transit (CAT)
model within a pharmacokinetic framework for predicting orally administered drug release …

Computational Modeling of Drug Oral Bioavailability

LWR Fong, B Huang, R Chaudhari… - Oral Bioavailability and …, 2023 - Wiley Online Library
The oral bioavailability of a drug is a critical factor in determining its therapeutic efficacy.
Computational modeling approaches have emerged as valuable tools for predicting drug …

Drug transport mechanisms across the intestinal epithelium

ALB Ungell - Oral Drug Absorption, 2016 - taylorfrancis.com
INTRODUCTION The most convenient and used route of administration of drugs for targets
within the systemic circulation is oral administration. To obtain a successful oral formulation …