ReviewCurrent drug metabolism2017
Drug Metabolism in Preclinical Drug Development: A Survey of the Discovery Process, Toxicology, and Computational Tools.
Review in Current drug metabolism, 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 47 papers.
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.
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.
Who cites it
47 citing papers in PubMed.
- Article
- Cross-Species Hepatic Metabolism of the Antileishmanial Chalcone NAT22 Generates Metabolites with Predicted Enhanced Affinity for the Parasite Target cTXNPx.Pharmaceutics · 2026Article
- Synthesis of Antimicrobial Quinoline Derivatives Enabled by Synergistic Pd/Enamine Catalysis: Experimental and Computational Study.Precision chemistry · 2026Article
- Evaluation of the Sedative Activity of Naringenin: In Vivo Study with Pharmacokinetics and Molecular Docking Insights.ChemistryOpen · 2025Article
- MetaboGNN: predicting liver metabolic stability with graph neural networks and cross-species data.Journal of cheminformatics · 2025Article
- Drug Metabolism and Pharmacokinetic Evaluation of a Novel RNase H2 Inhibitor for the Treatment of Triple-Negative Breast Cancer.Pharmaceutics · 2025Article
- Unraveling the Interaction Mechanism of the Compounds From Cladophora sp to Recognize Prospective Larvicidal and Bactericidal Activities: In vitro and In Silico Approaches.Molecular biotechnology · 2025Article
- Anti-arthritic potential of linalool: in vitro, in vivo, and in silico mechanistic insights for safer therapeutic applications.Naunyn-Schmiedeberg's archives of pharmacology · 2025Article
- Article
- Non-nutritive sweeteners in food-drug interactions: An overview of current evidence.Molecular pharmacology · 2025Review
- In Silico Validation of AI-Assisted Drugs in Healthcare.Methods in molecular biology (Clifton, N.J.) · 2025Article
- Small Molecule with Big Impact: Metarrestin Targets the Perinucleolar Compartment in Cancer Metastasis.Cells · 2024Review
- Possible hemoglobin enhancing effect of phytol in methotrexate-induced folate deficientPharmaceutical science advances · 2024Article
- Recent advances in cardiovascular disease research driven by metabolomics technologies in the context of systems biology.npj metabolic health and disease · 2024Review
- Article
- Drug disposition in cholestasis: An important concern.Pharmacology research & perspectives · 2024Review
- Effects of hesperidin on the histological structure, oxidative stress, and apoptosis in the liver and kidney induced by NiClFrontiers in veterinary science · 2024Article
- Design of β-Keto Esters with Antibacterial Activity: Synthesis, In Vitro Evaluation, and Theoretical Assessment of Their Reactivity and Quorum-Sensing Inhibition Capacity.Pharmaceuticals (Basel, Switzerland) · 2023Article
- Metabolism-Guided Optimization of Tryptophanol-Derived Isoindolinone p53 Activators.Pharmaceuticals (Basel, Switzerland) · 2023Article
- Evaluation of Free Online ADMET Tools for Academic or Small Biotech Environments.Molecules (Basel, Switzerland) · 2023Review
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
5 authors.
Funding
Abstract
backgroundWhile establishing efficacy in translational models and humans through clinically-relevant endpoints for disease is of great interest, assessing the potential toxicity of a putative therapeutic drug is critical. Toxicological assessments in the pre-clinical discovery phase help to avoid future failure in the clinical phases of drug development. Many in vitro assays exist to aid in modular toxicological assessment, such as hepatotoxicity and genotoxicity. While these methods have provided tremendous insight into human toxicity by investigational new drugs, they are expensive, require substantial resources, and do not account for pharmacogenomics as well as critical ADME properties. Computational tools can fill this niche in toxicology if in silico models are accurate in relating drug molecular properties to toxicological endpoints as well as reliable in predicting important drug-target interactions that mediate known adverse events or adverse outcome pathways (AOPs).
methodsWe undertook an unstructured search of multiple bibliographic databases for peer-reviewed literature regarding computational methods in predictive toxicology for in silico drug discovery. As this review paper is meant to serve as a survey of available methods for the interested reader, no focused criteria were applied. Literature chosen was based on the writers' expertise and intent in communicating important aspects of in silico toxicology to the interested reader.
conclusionThis review provides a purview of computational methods of pre-clinical toxicologic assessments for novel small molecule drugs that may be of use for novice and experienced investigators as well as academic and commercial drug discovery entities.
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What OpenQuestion holds
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.