ReviewDrug discovery today2023
Comparison and summary of in silico prediction tools for CYP450-mediated drug metabolism.
Review in Drug discovery today, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 19 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
19 citing papers in PubMed, 34 citations in OpenAlex.
- Soft drugs: design principles and topical applications.Nature reviews. Drug discovery · 2026Review
- Structural Plasticity and Ligand Promiscuity of CYP3A4 Revealed by Cryo-EM.bioRxiv : the preprint server for biology · 2026Article
- Artificial intelligence and ultra-high performance computing methods and experiments for drug discovery: virtual screening, deep learning, molecular dynamics simulations, ADMET modelling, and experimental validation.Molecular biomedicine · 2026Review
- From Xenobiotic Exposure to Neuroinflammation: Mechanisms Linking Lipopolysaccharide Signaling to Depressive-like Behavior.Journal of xenobiotics · 2026Review
- Article
- Editorial: Exploration of the role of heme proteins in biology with experimental and computational methods.Frontiers in chemistry · 2026Article
- Review
- Imidazopyridine DSH65 induces intrinsic apoptosis and cell cycle arrest in burkitt lymphoma cells.Naunyn-Schmiedeberg's archives of pharmacology · 2026Article
- Weighted network analysis of adverse outcome pathways decodes the multiscale mechanisms of environmental toxicity.Environmental science and ecotechnology · 2026Article
- Metabolite Identification Data in Drug Discovery, Part 2: Site-of-Metabolism Annotation, Analysis, and Exploration for Machine Learning.Molecular pharmaceutics · 2025Article
- Prioritisation of co-formulants and plant protection products for non-dietary risk assessment using NAMs.Archives of toxicology · 2025Article
- Relevance of kinetic interactions and co-formulants for plant protection product liver toxicity in vitro.Archives of toxicology · 2025Article
- In Silico ADME Methods Used in the Evaluation of Natural Products.Pharmaceutics · 2025Review
- ADME of Bromo-DragonFLY as an example of a new psychoactive substance (NPS) - application of in Silico methods for prediction: absorption, distribution, metabolism and excretion.Scientific reports · 2025Article
- Chronic alcohol intake disrupts cytochrome P450 enzyme activity in alcoholic fatty liver disease: insights into metabolic alterations and therapeutic targets.Frontiers in chemistry · 2025Article
- Extracellular vesicles in reproductive medicine: from "animal-led" to "plant-enabled".Frontiers in cell and developmental biology · 2025Review
- Investigation ofComputational and structural biotechnology journal · 2024Review
- Fitness effects of synthetic and natural diet preservatives on the edible insect Bombyx mori.NPJ science of food · 2024Article
- Water Exchange from the Buried Binding Sites of Cytochrome P450 Enzymes 1A2, 2D6, and 3A4 Correlates with Conformational Fluctuations.Molecules (Basel, Switzerland) · 2024Article
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 at 1 institution in 1 country.
Funding
Abstract
The cytochrome P450 (CYP450) enzyme system is responsible for the metabolism of more than two-thirds of xenobiotics. This review summarizes reports of a series of in silico tools for CYP450 enzyme-drug interaction predictions, including the prediction of sites of metabolism (SOM) of a drug and the identification of inhibitor/substrates for CYP subtypes. We also evaluated four prediction tools to identify CYP inhibitors utilizing 52 of the most frequently prescribed drugs. ADMET Predictor and CYPlebrity demonstrated the best performance. We hope that this review provides guidance for choosing appropriate enzyme prediction tools from a variety of in silico platforms to meet individual needs. Such predictions are useful for medicinal chemists to prioritize their designed compounds for further drug discovery.
Indexed as
Identifiers
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.