ArticleMolecular pharmaceutics2019
Halogen Substitution Influences Ketamine Metabolism by Cytochrome P450 2B6: In Vitro and Computational Approaches.
Article in Molecular pharmaceutics, 2019. 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
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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
19 citing papers in PubMed, 45 citations in OpenAlex.
- Qualitative and quantitative in silico toxicity profiling of "angel dust": phencyclidine (PCP) analogues as new psychoactive substances (3-HO-PCP, 3-MeO-PCP, 4-MeO-PCP, 3-HO-PCE, 3-MeO-PCE, 4-MeO-PCE).Archives of toxicology · 2026Article
- Cortical Mechanisms Contributing to Ketamine-Induced Dissociation.The Neuroscientist : a review journal bringing neurobiology, neurology and psychiatry · 2026Review
- SMARTS-RX: a SMARTS-based representation of chemical functions for reactivity analysis.Journal of cheminformatics · 2025Article
- Applicability domain-expansion studies for machine learning models reveal new inhibitors of CYP2B6.Drug metabolism and disposition: the biological fate of chemicals · 2025Article
- Late-stage modification of bioactive compounds: Improving druggability through efficient molecular editing.Acta pharmaceutica Sinica. B · 2024Review
- High-Throughput Phenotypic Screening and Machine Learning Methods Enabled the Selection of Broad-Spectrum Low-Toxicity Antitrypanosomatidic Agents.Journal of medicinal chemistry · 2023Article
- Machine Learning for Discovery of New ADORA Modulators.Frontiers in pharmacology · 2022Article
- Mycobacterium abscessus drug discovery using machine learning.Tuberculosis (Edinburgh, Scotland) · 2022Article
- Machine Learning Models Identify Inhibitors of SARS-CoV-2.Journal of chemical information and modeling · 2021Article
- Comparing the Pfizer Central Nervous System Multiparameter Optimization Calculator and a BBB Machine Learning Model.ACS chemical neuroscience · 2021Article
- The Antiviral Drug Tilorone Is a Potent and Selective Inhibitor of Acetylcholinesterase.Chemical research in toxicology · 2021Article
- Flavonoids from Pterogyne nitens as Zika virus NS2B-NS3 protease inhibitors.Bioorganic chemistry · 2021Article
- Bioactivity Comparison across Multiple Machine Learning Algorithms Using over 5000 Datasets for Drug Discovery.Molecular pharmaceutics · 2021Article
- Comparing Machine Learning Models for Aromatase (P450 19A1).Environmental science & technology · 2020Article
- Machine Learning for Discovery of GSK3β Inhibitors.ACS omega · 2020Article
- Machine Learning Models for Estrogen Receptor Bioactivity and Endocrine Disruption Prediction.Environmental science & technology · 2020Article
- Repurposing Pyramax®, quinacrine and tilorone as treatments for Ebola virus disease.Antiviral research · 2020Article
- Synergistic drug combinations and machine learning for drug repurposing in chordoma.Scientific reports · 2020Article
- Repurposing Approved Drugs as Inhibitors of KPharmaceutical research · 2019Article
Corrections and comments
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Authors and funding
6 authors at 3 institutions in 1 country.
Funding
Abstract
Ketamine is analgesic at anesthetic and subanesthetic doses, and it has been used recently to treat depression. Biotransformation mediates ketamine effects, influencing both systemic elimination and bioactivation. CYP2B6 is the major catalyst of hepatic ketamine N-demethylation and metabolism at clinically relevant concentrations. Numerous CYP2B6 substrates contain halogens. CYP2B6 readily forms halogen-protein (particularly Cl-π) bonds, which influence substrate selectivity and active site orientation. Ketamine is chlorinated, but little is known about the metabolism of halogenated analogs. This investigation evaluated halogen substitution effects on CYP2B6-catalyzed ketamine analogs N-demethylation in vitro and modeled interactions with CYP2B6 using various computational approaches. Ortho phenyl ring halogen substituent changes caused substantial (18-fold) differences in K
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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.