Evidence mapPaperPMID 41224188Full record

ArticleToxicology2026

An in vitro-in silico workflow for predicting renal clearance of environmental chemicals and drugs.

Courtney Sakolish, Hsing-Chieh Lin, Haley L Moyer, Lucie C Ford, Charles H Christen, Barbara A Wetmore, Michael J DeVito, Philip Hewitt, Stephen S Ferguson, Farah Raad and 2 more

Abstract read
In one paragraph

Article in Toxicology, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

0numbers the graph read from it
0cells of the map it votes in
1citing papers in PubMed
field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

1 citing paper in PubMed.

  1. Review
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

12 authors.

Courtney SakolishDepartment of Veterinary Physiology and Pharmacology, College of Veterinary Medicine and Biomedical Sciences, Texas A&M University, College Station, TX 77843, USA.
Hsing-Chieh LinDepartment of Veterinary Physiology and Pharmacology, College of Veterinary Medicine and Biomedical Sciences, Texas A&M University, College Station, TX 77843, USA.
Haley L MoyerDepartment of Veterinary Physiology and Pharmacology, College of Veterinary Medicine and Biomedical Sciences, Texas A&M University, College Station, TX 77843, USA.
Lucie C FordDepartment of Veterinary Physiology and Pharmacology, College of Veterinary Medicine and Biomedical Sciences, Texas A&M University, College Station, TX 77843, USA.
Charles H ChristenCenter for Computational Toxicology and Exposure, Office of Research and Development, US. Environmental Protection Agency, Research Triangle Park, NC 27711, USA.
Barbara A WetmoreCenter for Computational Toxicology and Exposure, Office of Research and Development, US. Environmental Protection Agency, Research Triangle Park, NC 27711, USA.
Michael J DeVitoCenter for Computational Toxicology and Exposure, Office of Research and Development, US. Environmental Protection Agency, Research Triangle Park, NC 27711, USA.
Philip HewittMerck KGaA, Darmstadt, Germany.
Stephen S FergusonDivision of Translational Toxicology, National Institute of Environmental Health Sciences, Research Triangle Park, NC 27709, USA.
Farah RaadRoche Pharma Research and Early Development, Roche Innovation Center Basel, F. Hoffmann-La Roche Ltd., Basel 4070, Switzerland.
Ivan RusynDepartment of Veterinary Physiology and Pharmacology, College of Veterinary Medicine and Biomedical Sciences, Texas A&M University, College Station, TX 77843, USA. Electronic address: irusyn@tamu.edu.
Weihsueh A ChiuDepartment of Veterinary Physiology and Pharmacology, College of Veterinary Medicine and Biomedical Sciences, Texas A&M University, College Station, TX 77843, USA. Electronic address: wchiu@tamu.edu.

Funding

Single cell, multi-parametric high throughput platform to classify endocrine disruptor potential of mixturesP42ES027704 · NIEHS · TEXAS A&M UNIVERSITY · PI Ivan Rusyn · 2017 to 2026
$21.2M
Regulatory Science in Environmental Health and ToxicologyT32ES026568 · NIEHS · TEXAS A&M UNIVERSITY · PI Weihsueh A Chiu, Natalie M Johnson · 2016 to 2026
$3.8M
NIEHS NIH HHS P42 ES027704NIEHS NIH HHS T32 ES026568
6 · The paper itself

Abstract

Accurate prediction of human renal clearance is essential for evaluating drug pharmacokinetics and environmental chemical risks, yet current methods often neglect rate-determining active transporter-mediated mechanisms. This study aimed to expand and validate a unified in vitro-in silico workflow for predicting renal clearance of both pharmaceuticals and per- and polyfluoroalkyl substances (PFAS) with varied elimination half-life ranges. We hypothesized that robust predictions of human renal clearance across diverse chemical classes can be achieved by combining human proximal tubule cell-based permeability/uptake assays with computational models of renal physiology. Human RPTEC/TERT1 cells and their OAT1-overexpressing variant were cultured in 96-well plates and Transwells to measure uptake, directional transport, and intracellular accumulation of 36 chemicals (28 PFAS, 7 drugs, 1 cosmetic ingredient). Time-course concentration data were used for either two-compartment (96-well) or three-compartment (Transwell) kinetic models. Permeability parameters were integrated into a physiologically-based kidney model for in vitro-to-in vivo extrapolation (IVIVE). A follow-up validation study with PFAS used independent experiments to derive similar predictions. Transwell-based three-compartment modeling yielded the most accurate absolute renal clearance predictions for rapidly eliminated drugs. For slowly cleared PFAS, simpler 96-well two-compartment modeling provided high correlation with observed human clearance, accurately distinguishing low-, medium- and high-clearance compounds; model predictions were consistently human health-protective. The PFAS validation study confirmed reproducibility of the approach. The proposed workflow is a conservative, scalable, mechanistically-informed and empirically-benchmarked approach for predicting renal clearance in humans. Transwell assays best support drug clearance estimation, whereas high-throughput 96-well formats enable reliable relative clearance ranking for PFAS, supporting both pharmaceutical development and environmental chemical risk assessment.

Indexed as

Computer SimulationEnvironmental PollutantsKidneyKidney Tubules, ProximalModels, BiologicalRenal EliminationCell LineHumansMetabolic Clearance RateOrganic Anion Transport Protein 1Pharmaceutical PreparationsWorkflowEnvironmental PollutantsOrganic Anion Transport Protein 1Pharmaceutical PreparationsDrugsIn silicoIn vitroPFASPharmacokineticsRPTEC

Identifiers

PMID41224188
PMCPMC12951621

What Socratic holds

Textmetadata
LicenceCC BY-NC-ND
Read underepoch 390

Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the Socratic graph.