[HTML][HTML] Artificial intelligence in drug metabolism and excretion prediction: recent advances, challenges, and future perspectives

TTV Tran, H Tayara, KT Chong - Pharmaceutics, 2023 - mdpi.com
Drug metabolism and excretion play crucial roles in determining the efficacy and safety of
drug candidates, and predicting these processes is an essential part of drug discovery and …

[HTML][HTML] Physiologically based pharmacokinetic modelling for first-in-human predictions: an updated model building strategy illustrated with challenging industry case …

NA Miller, MB Reddy, AT Heikkinen, V Lukacova… - Clinical …, 2019 - Springer
Physiologically based pharmacokinetic modelling is well established in the pharmaceutical
industry and is accepted by regulatory agencies for the prediction of drug–drug interactions …

Quantitative prediction of human renal clearance and drug-drug interactions of organic anion transporter substrates using in vitro transport data: a relative activity …

S Mathialagan, MA Piotrowski, DA Tess, B Feng… - Drug Metabolism and …, 2017 - ASPET
Organic anion transporters (OATs) are important in the renal secretion, and thus, the
clearance, of many drugs; and their functional change can result in pharmacokinetic …

Multi-functional scaling methodology for translational pharmacokinetic and pharmacodynamic applications using integrated microphysiological systems (MPS)

C Maass, CL Stokes, LG Griffith, M Cirit - Integrative biology, 2017 - academic.oup.com
Microphysiological systems (MPS) provide relevant physiological environments in vitro for
studies of pharmacokinetics, pharmacodynamics and biological mechanisms for …

Minimal physiologically‐based hybrid model of pharmacokinetics in pregnant women: Application to antenatal corticosteroids

W Krzyzanski, MA Milad, AH Jobe… - CPT: Pharmacometrics …, 2023 - Wiley Online Library
Minimal physiologically‐based pharmacokinetic (mPBPK) models are an alternative to full
physiologically‐based pharmacokinetic (PBPK) models as they offer reduced complexity …

[HTML][HTML] Development of an in silico prediction system of human renal excretion and clearance from chemical structure information incorporating fraction unbound in …

R Watanabe, R Ohashi, T Esaki, H Kawashima… - Scientific reports, 2019 - nature.com
Prediction of pharmacokinetic profiles of new chemical entities is essential in drug
development to minimize the risks of potential withdrawals. The excretion of unchanged …

Delineating the role of various factors in renal disposition of digoxin through application of physiologically based kidney model to renal impairment populations

D Scotcher, CR Jones, A Galetin… - Journal of Pharmacology …, 2017 - ASPET
Development of submodels of organs within physiologically-based pharmacokinetic (PBPK)
principles and beyond simple perfusion limitations may be challenging because of …

Challenges and opportunities for improved drug–drug interaction predictions for renal OCT2 and MATE1/2‐K transporters

S Krishnan, D Ramsden, D Ferguson… - Clinical …, 2022 - Wiley Online Library
Transporters contribute to renal elimination of drugs; therefore drug disposition can be
impacted if transporters are inhibited by comedicant drugs. Regulatory agencies have …

Robust physiologically based pharmacokinetic model of rifampicin for predicting drug–drug interactions via P‐glycoprotein induction and inhibition in the intestine …

R Asaumi, K Nunoya, Y Yamaura… - CPT …, 2022 - Wiley Online Library
Abstract P‐glycoprotein (P‐gp) is an efflux transporter that plays an important role in the
pharmacokinetics of its substrate, and P‐gp activities can be altered by induction and …

Predicting tubular reabsorption with a human kidney proximal tubule tissue-on-a-chip and physiologically-based modeling

C Sakolish, Z Chen, C Dalaijamts, K Mitra, Y Liu… - Toxicology in Vitro, 2020 - Elsevier
Kidney is a major route of xenobiotic excretion, but the accuracy of preclinical data for
predicting in vivo clearance is limited by species differences and non-physiologic 2D culture …