ArticleMolecular pharmaceutics2022
Machine Learning Models Identify New Inhibitors for Human OATP1B1.
Article in Molecular pharmaceutics, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 16 papers.
What it found
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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.
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.
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Who cites it
16 citing papers in PubMed, 27 citations in OpenAlex.
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- Experimental and computational approaches for evaluating molecule interactions with equilibrative nucleoside transporters 1 and 2.The Journal of pharmacology and experimental therapeutics · 2025Article
- Fraction-based Linear Extrapolation (FLEX) Method for Predicting Human Pharmacokinetic Clearance: Advanced Allometric Scaling Method and Machine Learning Approach.Pharmaceutical research · 2025Article
- Predicting inhibitors of OATP1B1 via heterogeneous OATP-ligand interaction graph neural network (HOLIgraph).Journal of cheminformatics · 2025Article
- Computational Approaches for Predicting Drug Interactions with Human Organic Anion Transporter 4 (OAT4).Molecular pharmaceutics · 2025Article
- Identification of acrylamide-based covalent inhibitors of SARS-CoV-2 (SCoV-2) Nsp15 using high-throughput screening and machine learning.RSC advances · 2025Article
- Organic anion transporting polypeptides: Pharmacology, toxicology, structure, and transport mechanisms.Pharmacological reviews · 2025Review
- MONSTROUS: a web-based chemical-transporter interaction profiler.Frontiers in pharmacology · 2025Article
- Repurposing lapatinib as a triple antagonist of chemokine receptors 3, 4, and 5.Molecular pharmacology · 2025Article
- The Goldilocks paradigm: comparing classical machine learning, large language models, and few-shot learning for drug discovery applications.Communications chemistry · 2024Article
- Distinguishing Molecular Properties of OAT, OATP, and MRP Drug Substrates by Machine Learning.Pharmaceutics · 2024Article
- Cryo-EM structures of human organic anion transporting polypeptide OATP1B1.Cell research · 2023Article
- Machine Learning Techniques Applied to the Study of Drug Transporters.Molecules (Basel, Switzerland) · 2023Review
- Transporter Inhibition Profile for the Antivirals Tilorone, Quinacrine and Pyronaridine.ACS omega · 2023Article
- The protein disulfide isomerase inhibitor 3-methyltoxoflavin inhibits Chikungunya virus.Bioorganic & medicinal chemistry · 2023Article
Corrections and comments
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Authors and funding
7 authors at 2 institutions in 1 country.
Funding
Abstract
The uptake transporter OATP1B1 (SLC01B1) is largely localized to the sinusoidal membrane of hepatocytes and is a known victim of unwanted drug-drug interactions. Computational models are useful for identifying potential substrates and/or inhibitors of clinically relevant transporters. Our goal was to generate OATP1B1 in vitro inhibition data for [
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Registered trials
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 OpenQuestion graph.