AIMC Topic: Cytochrome P-450 Enzyme System

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An Uncertainty-Guided Deep Learning Method Facilitates Rapid Screening of CYP3A4 Inhibitors.

Journal of chemical information and modeling Dec 6, 2023
Cytochrome P450 3A4 (CYP3A4), a prominent member of the P450 enzyme superfamily, plays a crucial role in metabolizing various xenobiotics, including over 50% of clinically significant drugs. Evaluating CYP3A4 inhibition before drug approval is essent...
Reproducibility of Results Deep Learning Drug Interactions Cytochrome P-450 CYP3A Inhibitors Uncertainty Cytochrome P-450 Enzyme Inhibitors Enzyme Inhibitors Cytochrome P-450 Enzyme System Cytochrome P-450 CYP3A
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Prediction of Cytochrome P450 Inhibition Using a Deep Learning Approach and Substructure Pattern Recognition.

Journal of chemical information and modeling Oct 21, 2023
Cytochrome P450 (CYP) is a family of enzymes that are responsible for about 75% of all metabolic reactions. Among them, CYP1A2, CYP2C9, CYP2C19, CYP2D6, and CYP3A4 participate in the metabolism of most drugs and mediate many adverse drug reactions. T...
Deep Learning Cytochrome P-450 CYP2D6 Cytochrome P-450 CYP2C19 Cytochrome P-450 CYP3A Microsomes, Liver Cytochrome P-450 CYP1A2 Cytochrome P-450 CYP2C9 Protein Isoforms Cytochrome P-450 Enzyme System Cytochrome P-450 Enzyme Inhibitors
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Drug Metabolism: A Half-Century Plus of Progress, Continued Needs, and New Opportunities.

Drug metabolism and disposition: the biological fate of chemicals Jul 22, 2022
The systematic study of drug metabolism began in the 19th Century, but most of what we know now has been learned in the last 50 years. Drug metabolism continues to play a critical role in pharmaceutical development and clinical practice, as well as c...
Artificial Intelligence Cytochrome P-450 Enzyme System Inactivation, Metabolic
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Machine Learning-Based Prediction of Drug-Drug Interactions for Histamine Antagonist Using Hybrid Chemical Features.

Cells Nov 9, 2021
The requesting of detailed information on new drugs including drug-drug interactions or targets is often unavailable and resource-intensive in assessing adverse drug events. To shorten the common evaluation process of drug-drug interactions, we prese...
Machine Learning Algorithms Reproducibility of Results Databases as Topic Histamine Antagonists ROC Curve Drug Interactions Cytochrome P-450 Enzyme System
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CYPlebrity: Machine learning models for the prediction of inhibitors of cytochrome P450 enzymes.

Bioorganic & medicinal chemistry Aug 28, 2021
The vast majority of approved drugs are metabolized by the five major cytochrome P450 (CYP) isozymes, 1A2, 2C9, 2C19, 2D6 and 3A4. Inhibition of CYP isozymes can cause drug-drug interactions with severe pharmacological and toxicological consequences....
Cytochrome P-450 Enzyme Inhibitors Models, Molecular Molecular Structure Cytochrome P-450 Enzyme System Dose-Response Relationship, Drug Structure-Activity Relationship Humans Machine Learning
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CYPstrate: A Set of Machine Learning Models for the Accurate Classification of Cytochrome P450 Enzyme Substrates and Non-Substrates.

Molecules (Basel, Switzerland) Aug 2, 2021
The interaction of small organic molecules such as drugs, agrochemicals, and cosmetics with cytochrome P450 enzymes (CYPs) can lead to substantial changes in the bioavailability of active substances and hence consequences with respect to pharmacologi...
Substrate Specificity Xenobiotics Humans Machine Learning Animals Cytochrome P-450 Enzyme System
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Mining Toxicity Information from Large Amounts of Toxicity Data.

Journal of medicinal chemistry May 7, 2021
Safety is a main reason for drug failures, and therefore, the detection of compound toxicity and potential adverse effects in the early stage of drug development is highly desirable. However, accurate prediction of many toxicity endpoints is extremel...
Drug-Related Side Effects and Adverse Reactions Machine Learning Cytochrome P-450 Enzyme System Cardiotoxicity Databases, Factual Mutagenicity Tests
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Predicting drug metabolism and pharmacokinetics features of in-house compounds by a hybrid machine-learning model.

Drug metabolism and pharmacokinetics Apr 20, 2021
We constructed machine learning-based pharmacokinetic prediction models with very high performance. The models were trained on 26138 and 16613 compounds involved in metabolic stability and cytochrome P450 inhibition, respectively. Because the compoun...
Drug Discovery Predictive Value of Tests Pharmaceutical Preparations Cytochrome P-450 Enzyme System Pharmacokinetics Machine Learning Computer Simulation Reproducibility of Results Humans Inactivation, Metabolic Quantitative Structure-Activity Relationship Metabolic Clearance Rate
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Computational prediction of cytochrome P450 inhibition and induction.

Drug metabolism and pharmacokinetics Dec 20, 2019
Cytochrome P450 (CYP) enzymes play an important role in the phase I metabolism of many xenobiotics. Most drug-drug interactions (DDIs) associated with CYP are caused by either CYP inhibition or induction. The early detection of potential DDIs is high...
Models, Molecular Drug Interactions Cytochrome P-450 Enzyme System Humans Machine Learning Cytochrome P-450 Enzyme Inhibitors
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Genetic Variation in Cytochrome P450 2R1 and Vitamin D Binding Protein Genes are associated with Vitamin D Deficiency in Adolescents.

International journal for vitamin and nutrition research. Internationale Zeitschrift fur Vitamin- und Ernahrungsforschung. Journal international de vitaminologie et de nutrition Nov 15, 2019
Genome Wide Association Studies (GWAS) have evaluated several genes related to vitamin D synthesis, metabolism and transport. They have proposed a genetic basis for low levels of vitamin D in the blood. The current study aims to investigate the rela...
Cholestanetriol 26-Monooxygenase Genome-Wide Association Study Male Cytochrome P-450 Enzyme System Genetic Predisposition to Disease Polymorphism, Single Nucleotide Cytochrome P450 Family 2 Case-Control Studies Vitamin D Deficiency Genotype Adolescent Vitamin D-Binding Protein Humans Iran Vitamin D Female
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