[HTML][HTML] Best practices in current models mimicking drug permeability in the gastrointestinal tract-An UNGAP review

JP O'Shea, P Augustijns, M Brandl, DJ Brayden… - European Journal of …, 2022 - Elsevier
The absorption of orally administered drug products is a complex, dynamic process,
dependant on a range of biopharmaceutical properties; notably the aqueous solubility of a …

Fast-fed variability: insights into drug delivery, molecular manifestations, and regulatory aspects

N Rangaraj, S Sampathi, V Junnuthula, P Kolimi… - Pharmaceutics, 2022 - mdpi.com
Among various drug administration routes, oral drug delivery is preferred and is considered
patient-friendly; hence, most of the marketed drugs are available as conventional tablets or …

Evaluation of the success of high-throughput physiologically based pharmacokinetic (HT-PBPK) modeling predictions to inform early drug discovery

D Naga, N Parrott, GF Ecker… - Molecular …, 2022 - ACS Publications
Minimizing in vitro and in vivo testing in early drug discovery with the use of physiologically
based pharmacokinetic (PBPK) modeling and machine learning (ML) approaches has the …

Bioavailability by design—Vitamin D3 liposomal delivery vehicles

P Dałek, D Drabik, H Wołczańska, A Foryś… - … , Biology and Medicine, 2022 - Elsevier
Vitamin D3 deficiency has serious health consequences, as demonstrated by its effect on
severity and recovery after COVID-19 infection. Because of high hydrophobicity, its …

Guide to development of compound files for PBPK modeling in the Simcyp population‐based simulator

U Ezuruike, M Zhang, A Pansari… - CPT …, 2022 - Wiley Online Library
Abstract The Simcyp Simulator is a software platform for population physiologically‐based
pharmacokinetic (PBPK) modeling and simulation. It links in vitro data to in vivo absorption …

ADMET predictability at Boehringer Ingelheim: state‐of‐the‐art, and do bigger datasets or algorithms make a difference?

S Aleksić, D Seeliger, JB Brown - Molecular Informatics, 2022 - Wiley Online Library
Computational methods assisting drug discovery and development are routine in the
pharmaceutical industry. Digital recording of ADMET assays has provided a rich source of …

Application of a physiologically based pharmacokinetic approach to predict theophylline pharmacokinetics using virtual non-pregnant, pregnant, fetal, breast-feeding …

K Abduljalil, I Gardner, M Jamei - Frontiers in Pediatrics, 2022 - frontiersin.org
Perinatal pharmacology is influenced by a myriad of physiological variables that are
changing dynamically. The influence of these covariates has not been assessed …

Altered bioavailability and pharmacokinetics in Crohn's disease: capturing systems parameters for PBPK to assist with predicting the fate of orally administered drugs

S Alrubia, J Mao, Y Chen, J Barber… - Clinical …, 2022 - Springer
Abstract Backgrond and Objective Crohn's disease (CD) is a chronic inflammatory bowel
disease that affects a wide age range. Hence, CD patients receive a variety of drugs over …

Gastrointestinal fluid volumes in pediatrics: a retrospective MRI study

M Van der Veken, M Aertsen, J Brouwers, C Stillhart… - Pharmaceutics, 2022 - mdpi.com
The volume and distribution of fluids available in the gastrointestinal (GI) tract may
substantially affect oral drug absorption. Magnetic resonance imaging (MRI) has been used …

Proof of concept in assignment of within-subject variability during virtual bioequivalence studies: propagation of intra-subject variation in gastrointestinal physiology …

M Bego, N Patel, R Cristofoletti, A Rostami-Hodjegan - The AAPS Journal, 2022 - Springer
While the concept of 'Virtual Bioequivalence'(VBE) using a combination of modelling, in vitro
tests and integration of pre-existing data on systems and drugs is growing from its infancy …