AIMC Topic: Cytochrome P-450 CYP2D6

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Evaluation of machine learning models for cytochrome P450 3A4, 2D6, and 2C9 inhibition.

Journal of applied toxicology : JAT Mar 27, 2024
Cytochrome P450 (CYP) enzymes are involved in the metabolism of approximately 75% of marketed drugs. Inhibition of the major drug-metabolizing P450s could alter drug metabolism and lead to undesirable drug-drug interactions. Therefore, it is of great...
Humans Machine Learning Deep Learning Cytochrome P-450 CYP3A Algorithms Computer Simulation Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 CYP2D6 Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP2C9 Inhibitors Cytochrome P-450 CYP2C9 Cytochrome P-450 CYP2D6 Inhibitors
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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...
Cytochrome P-450 CYP2D6 Cytochrome P-450 CYP1A2 Protein Isoforms Cytochrome P-450 CYP2C19 Cytochrome P-450 CYP2C9 Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Enzyme System Cytochrome P-450 CYP3A Deep Learning Microsomes, Liver
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Transfer learning enables prediction of CYP2D6 haplotype function.

PLoS computational biology Nov 2, 2020
Cytochrome P450 2D6 (CYP2D6) is a highly polymorphic gene whose protein product metabolizes more than 20% of clinically used drugs. Genetic variations in CYP2D6 are responsible for interindividual heterogeneity in drug response that can lead to drug ...
Deep Learning Computational Biology DNA Pharmaceutical Preparations Phenotype Humans Computer Simulation Base Sequence Neural Networks, Computer Microsomes, Liver Pharmacogenomic Testing Supervised Machine Learning Polymorphism, Genetic Cytochrome P-450 CYP2D6 Alleles Haplotypes
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PharmVar GeneFocus: CYP2D6.

Clinical pharmacology and therapeutics Dec 9, 2019
The Pharmacogene Variation Consortium (PharmVar) provides nomenclature for the highly polymorphic human CYP2D6 gene locus. CYP2D6 genetic variation impacts the metabolism of numerous drugs and, thus, can impact drug efficacy and safety. This GeneFocu...
Databases, Genetic Pharmaceutical Preparations Humans Polymorphism, Genetic Knowledge Bases Pharmacogenetics Cytochrome P-450 CYP2D6 Genetic Variation
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Prediction of clinically relevant drug-induced liver injury from structure using machine learning.

Journal of applied toxicology : JAT Oct 16, 2018
Drug-induced liver injury (DILI) is the most common cause of acute liver failure and often responsible for drug withdrawals from the market. Clinical manifestations vary, and toxicity may or may not appear dose-dependent. We present several machine-l...
Decision Trees Chemical and Drug Induced Liver Injury Humans Neural Networks, Computer Cytochrome P-450 CYP3A Cytochrome P-450 CYP2D6 Machine Learning
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Evaluation of machine learning algorithms and computational structural validation of CYP2D6 in predicting the therapeutic response to tamoxifen in breast cancer.

European review for medical and pharmacological sciences Dec 1, 2024
OBJECTIVE: CYP2D6 plays a critical role in metabolizing tamoxifen into its active metabolite, endoxifen, which is crucial for its therapeutic effect in estrogen receptor-positive breast cancer. Single nucleotide polymorphisms (SNPs) in the CYP2D6 gen...
Breast Neoplasms Middle Aged Algorithms Female Humans Tamoxifen Machine Learning Cytochrome P-450 CYP2D6 Polymorphism, Single Nucleotide Antineoplastic Agents, Hormonal
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