Oral druggable space beyond the rule of 5: insights from drugs and clinical candidates
The rule of 5 (Ro5) is a set of in silico guidelines applied to drug discovery to prioritize
compounds with an increased likelihood of high oral absorption. It has been influential in …
compounds with an increased likelihood of high oral absorption. It has been influential in …
Cell permeability beyond the rule of 5
Drug discovery for difficult targets that have large and flat binding sites is often better suited
to compounds beyond the “rule of 5”(bRo5). However, such compounds carry higher …
to compounds beyond the “rule of 5”(bRo5). However, such compounds carry higher …
Basic concepts in physiologically based pharmacokinetic modeling in drug discovery and development
HM Jones, K Rowland‐Yeo - CPT: pharmacometrics & systems …, 2013 - Wiley Online Library
The aim of this tutorial is to introduce the concept of physiologically based pharmacokinetic
(PBPK) modeling to individuals in the pharmaceutical industry who may be relatively new to …
(PBPK) modeling to individuals in the pharmaceutical industry who may be relatively new to …
PBPK models for the prediction of in vivo performance of oral dosage forms
ES Kostewicz, L Aarons, M Bergstrand… - European Journal of …, 2014 - Elsevier
Drug absorption from the gastrointestinal (GI) tract is a highly complex process dependent
upon numerous factors including the physicochemical properties of the drug, characteristics …
upon numerous factors including the physicochemical properties of the drug, characteristics …
Physiologically-based pharmacokinetics in drug development and regulatory science
M Rowland, C Peck, G Tucker - Annual review of pharmacology …, 2011 - annualreviews.org
The application of physiologically-based pharmacokinetic (PBPK) modeling is coming of
age in drug development and regulation, reflecting significant advances over the past 10 …
age in drug development and regulation, reflecting significant advances over the past 10 …
The impact of carboxylesterases in drug metabolism and pharmacokinetics
L Di - Current drug metabolism, 2019 - ingentaconnect.com
Background: Carboxylesterases (CES) play a critical role in catalyzing hydrolysis of esters,
amides, carbamates and thioesters, as well as bioconverting prodrugs and soft drugs. The …
amides, carbamates and thioesters, as well as bioconverting prodrugs and soft drugs. The …
Exploration and application of a liver-on-a-chip device in combination with modelling and simulation for quantitative drug metabolism studies
L Docci, N Milani, T Ramp, AA Romeo, P Godoy… - Lab on a Chip, 2022 - pubs.rsc.org
Microphysiological systems (MPS) are complex and more physiologically realistic cellular in
vitro tools that aim to provide more relevant human in vitro data for quantitative prediction of …
vitro tools that aim to provide more relevant human in vitro data for quantitative prediction of …
Use of physiologically based pharmacokinetic (PBPK) modeling for predicting drug-food interactions: an industry perspective
AE Riedmaier, K DeMent, J Huckle, P Bransford… - The AAPS journal, 2020 - Springer
The effect of food on pharmacokinetic properties of drugs is a commonly observed
occurrence affecting about 40% of orally administered drugs. Within the pharmaceutical …
occurrence affecting about 40% of orally administered drugs. Within the pharmaceutical …
Interactions between CYP3A4 and dietary polyphenols
The human cytochrome P450 enzymes (P450s) catalyze oxidative reactions of a broad
spectrum of substrates and play a critical role in the metabolism of xenobiotics, such as …
spectrum of substrates and play a critical role in the metabolism of xenobiotics, such as …
Mechanistic pharmacokinetic modeling for the prediction of transporter-mediated disposition in humans from sandwich culture human hepatocyte data
With efforts to reduce cytochrome P450-mediated clearance (CL) during the early stages of
drug discovery, transporter-mediated CL mechanisms are becoming more prevalent …
drug discovery, transporter-mediated CL mechanisms are becoming more prevalent …