A comprehensive listing of bioactivation pathways of organic functional groups. - Wikidata - awgldk - TriplyDB

A comprehensive listing of bioactivation pathways of organic functional groups.

A comprehensive listing of bioactivation pathways of organic functional groups.

http://www.wikidata.org/entity/Q36173107

about

The reactive metabolite target protein database (TPDB)--a web-accessible resource Role of reactive metabolites in the circulation in extrahepatic toxicity Novel in vitro and mathematical models for the prediction of chemical toxicity Reactive metabolites in the biotransformation of molecules containing a furan ring Data-driven identification of structural alerts for mitigating the risk of drug-induced human liver injuries Formation and Biological Targets of Quinones: Cytotoxic versus Cytoprotective Effects Biomonitoring Human Albumin Adducts: The Past, the Present, and the Future The ChEMBL database in 2017 Creating a hyperpolarised pseudo singlet state through polarisation transfer from parahydrogen under SABRE Site-specific arylation of rat glutathione s-transferase A1 and A2 by bromobenzene metabolites in vivo Analytical tools and approaches for metabolite identification in early drug discovery.High-throughput metabolic stability studies in drug discovery by orthogonal acceleration time-of-flight (OATOF) with analogue-to-digital signal capture (ADC).An informatic pipeline for managing high-throughput screening experiments and analyzing data from stereochemically diverse libraries Proposal of an in silico profiler for categorisation of repeat dose toxicity data of hair dyes.Post-acquisition analysis of untargeted accurate mass quadrupole time-of-flight MS(E) data for multiple collision-induced neutral losses and fragment ions of glutathione conjugates.Relationship between structural alerts in NSAIDs and idiosyncratic hepatotoxicity: an analysis of spontaneous report data from the WHO database.How to report and discuss ADME data in medicinal chemistry publications: in vitro data or in vivo extrapolations?Discovery of LAS101057: A Potent, Selective, and Orally Efficacious A2B Adenosine Receptor Antagonist.Development of Novel Alkene Oxindole Derivatives As Orally Efficacious AMP-Activated Protein Kinase Activators.The role of toxicoproteomics in assessing organ specific toxicity.Strategies for discovering and derisking covalent, irreversible enzyme inhibitors.An investigation into pharmaceutically relevant mutagenicity data and the influence on Ames predictive potential.Strategies for the generation, validation and application of in silico ADMET models in lead generation and optimization.Lessons from a BACE1 inhibitor trial: off-site but not off base.ω-Conotoxin GVIA mimetics that bind and inhibit neuronal Ca(v)2.2 ion channels.FAF-Drugs3: a web server for compound property calculation and chemical library design.Indolinyl-Thiazole Based Inhibitors of Scavenger Receptor-BI (SR-BI)-Mediated Lipid Transport Computational explanation for bioactivation mechanism of targeted anticancer agents mediated by cytochrome P450s: A case of Erlotinib Cytochrome P450s and other enzymes in drug metabolism and toxicity.Early immune events in the induction of allergic contact dermatitis Chemical toxicology: reactive intermediates and their role in pharmacology and toxicology.The plasma proteome, adductome and idiosyncratic toxicity in toxicoproteomics research Time-dependent CYP inhibition.Influence of structural and functional modifications of selected genotoxic carcinogens on metabolism and mutagenicity - a review.Molecular mechanisms underlying chemical liver injury.Discovery and characterization of carbamothioylacrylamides as EP2 selective antagonists.Role of biotransformation studies in minimizing metabolism-related liabilities in drug discovery.Current concepts of mechanisms in drug-induced hepatotoxicity.Weighted feature significance: a simple, interpretable model of compound toxicity based on the statistical enrichment of structural features Metabolites in safety testing: "MIST" for the clinical pharmacologist.

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P2860

A comprehensive listing of bioactivation pathways of organic functional groups.

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A comprehensive listing of bioactivation pathways of organic functional groups.

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Amit S Kalgutkar

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Christopher L Shaffer

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