BDDCS, the Rule of 5 and drugability

LZ Benet, CM Hosey, O Ursu, TI Oprea - Advanced drug delivery reviews, 2016 - Elsevier
The Rule of 5 methodology appears to be as useful today in defining drugability as when it
was proposed, but recognizing that the database that we used includes only drugs that …

In vitro to in vivo extrapolation for high throughput prioritization and decision making

SM Bell, X Chang, JF Wambaugh, DG Allen, M Bartels… - Toxicology in vitro, 2018 - Elsevier
In vitro chemical safety testing methods offer the potential for efficient and economical tools
to provide relevant assessments of human health risk. To realize this potential, methods are …

The biopharmaceutics classification system (BCS) and the biopharmaceutics drug disposition classification system (BDDCS): beyond guidelines

A Charalabidis, M Sfouni, C Bergström… - International journal of …, 2019 - Elsevier
The recent impact of the Biopharmaceutics Classification System (BCS) and the
Biopharmaceutics Drug Disposition Classification System (BDDCS) on relevant scientific …

[HTML][HTML] Effective exposure of chemicals in in vitro cell systems: A review of chemical distribution models

S Proença, BI Escher, FC Fischer, C Fisher, S Grégoire… - Toxicology in Vitro, 2021 - Elsevier
Nominal effect concentrations from in vitro toxicity assays may lead to inaccurate estimations
of in vivo toxic doses because the nominal concentration poorly reflects the concentration at …

A next-generation risk assessment case study for coumarin in cosmetic products

MT Baltazar, S Cable, PL Carmichael… - Toxicological …, 2020 - academic.oup.com
Abstract Next-Generation Risk Assessment is defined as an exposure-led, hypothesis-driven
risk assessment approach that integrates new approach methodologies (NAMs) to assure …

The critical role of passive permeability in designing successful drugs

L Di, P Artursson, A Avdeef, LZ Benet… - …, 2020 - Wiley Online Library
Passive permeability is a key property in drug disposition and delivery. It is critical for
gastrointestinal absorption, brain penetration, renal reabsorption, defining clearance …

Clearance in drug design: miniperspective

DA Smith, K Beaumont, TS Maurer… - Journal of Medicinal …, 2018 - ACS Publications
Due to its implications for both dose level and frequency, clearance rate is one of the most
important pharmacokinetic parameters to consider in the design of drug candidates …

Physiologically‐based pharmacokinetic models for evaluating membrane transporter mediated drug–drug interactions: current capabilities, case studies, future …

KS Taskar, V Pilla Reddy, H Burt… - Clinical …, 2020 - Wiley Online Library
Physiologically‐based pharmacokinetic (PBPK) modeling has been extensively used to
quantitatively translate in vitro data and evaluate temporal effects from drug–drug …

Estimating human ADME properties, pharmacokinetic parameters and likely clinical dose in drug discovery

AJ Lucas, JL Sproston, P Barton… - Expert opinion on drug …, 2019 - Taylor & Francis
Introduction: Prediction of human absorption, distribution, metabolism, and excretion
(ADME) properties, therapeutic dose and exposure has become an integral part of …

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 …