Determination of drugs and drug metabolites by ion mobility-mass spectrometry: A review.
Sign Up to like & getrecommendations! Published in 2021 at "Analytica chimica acta"
DOI: 10.1016/j.aca.2021.338270
Abstract: Ion mobility-mass spectrometry (IM-MS) has gained increased applications in the characterization and identification of drugs and drug metabolites, largely owning to the complementary separation of analyte ions based on their gas-phase size and shape in… read more here.
Keywords: mass spectrometry; drug metabolites; mobility mass; drug ... See more keywords
Differentiating Isomeric Deprotonated Glucuronide Drug Metabolites via Ion/Molecule Reactions in Tandem Mass Spectrometry.
Sign Up to like & getrecommendations! Published in 2018 at "Analytical chemistry"
DOI: 10.1021/acs.analchem.8b02083
Abstract: Isomeric O- and N-glucuronides are common drug metabolites produced in phase II of drug metabolism. Distinguishing these isomers by using common analytical techniques has proven challenging. A tandem mass spectrometric method based on gas-phase ion/molecule… read more here.
Keywords: drug metabolites; drug; ion; ion molecule ... See more keywords
Metabolic Forest: Predicting the Diverse Structures of Drug Metabolites
Sign Up to like & getrecommendations! Published in 2020 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.0c00360
Abstract: Adverse drug metabolism often severely impacts patient morbidity and mortality. Unfortunately, drug metabolism experimental assays are costly, inefficient, and slow. Instead, computational modeling could rapidly flag potentially toxic molecules across thousands of candidates in the… read more here.
Keywords: metabolic forest; quinone; metabolism; drug metabolites ... See more keywords
Quantitative Chemical Proteomic Profiling of the in Vivo Targets of Reactive Drug Metabolites.
Sign Up to like & getrecommendations! Published in 2017 at "ACS chemical biology"
DOI: 10.1021/acschembio.7b00346
Abstract: Idiosyncratic liver toxicity represents an important problem in drug research and pharmacotherapy. Reactive drug metabolites that modify proteins are thought to be a principal factor in drug-induced liver injury. Here, we describe a quantitative chemical… read more here.
Keywords: targets reactive; drug metabolites; drug; reactive drug ... See more keywords
Prediction of drug metabolites using neural machine translation†
Sign Up to like & getrecommendations! Published in 2020 at "Chemical Science"
DOI: 10.1039/d0sc02639e
Abstract: Metabolic processes in the human body can alter the structure of a drug affecting its efficacy and safety. As a result, the investigation of the metabolic fate of a candidate drug is an essential part… read more here.
Keywords: drug metabolites; drug; translation; enzyme families ... See more keywords
The importance of drug metabolites synthesis: the case-study of cardiotoxic anticancer drugs
Sign Up to like & getrecommendations! Published in 2017 at "Drug Metabolism Reviews"
DOI: 10.1080/03602532.2017.1316285
Abstract: Abstract Anticancer drugs are presently guarantying more survivors as a result of more powerful drugs or combinations of drugs used in therapy. Thus, it has become more crucial to study and overcome the side effects… read more here.
Keywords: drug metabolites; study; drug; anticancer drugs ... See more keywords
Green electrosynthesis of drug metabolites
Sign Up to like & getrecommendations! Published in 2023 at "Toxicology Research"
DOI: 10.1093/toxres/tfad009
Abstract: Abstract In this concise review, the field of electrosynthesis (ES) as a green methodology for understanding drug metabolites linked to toxicology is exemplified. ES describes the synthesis of chemical compounds in an electrochemical cell. Compared… read more here.
Keywords: toxicology; electrosynthesis drug; methodology; green electrosynthesis ... See more keywords
Simple In Vitro 18O Labeling for Improved Mass Spectrometry-Based Drug Metabolites Identification: Deep Drug Metabolism Study
Sign Up to like & getrecommendations! Published in 2023 at "International Journal of Molecular Sciences"
DOI: 10.3390/ijms24054569
Abstract: The identification of drug metabolites formed with different in vitro systems by HPLC-MS is a standard step in preclinical research. In vitro systems allow modeling of real metabolic pathways of a drug candidate. Despite the… read more here.
Keywords: metabolism; mass spectrometry; identification; drug ... See more keywords
Matching Drug Metabolites from Non-Targeted Metabolomics to Self-Reported Medication in the Qatar Biobank Study
Sign Up to like & getrecommendations! Published in 2022 at "Metabolites"
DOI: 10.3390/metabo12030249
Abstract: Modern metabolomics platforms are able to identify many drug-related metabolites in blood samples. Applied to population-based biobank studies, the detection of drug metabolites can then be used as a proxy for medication use or serve… read more here.
Keywords: reported medication; self reported; non targeted; drug ... See more keywords
Drug Metabolite Cluster-Based Data-Mining Method for Comprehensive Metabolism Study of 5-hydroxy-6,7,3′,4′-tetramethoxyflavone in Rats
Sign Up to like & getrecommendations! Published in 2019 at "Molecules"
DOI: 10.3390/molecules24183278
Abstract: The screening of drug metabolites in biological matrixes and structural characterization based on product ion spectra is among the most important, but also the most challenging due to the significant interferences from endogenous species. Traditionally,… read more here.
Keywords: data mining; metabolism; drug metabolites; drug ... See more keywords
Development of a metabolomics-based data analysis approach for identifying drug metabolites based on high-resolution mass spectrometry
Sign Up to like & getrecommendations! Published in 2023 at "Journal of Food and Drug Analysis"
DOI: 10.38212/2224-6614.3451
Abstract: A metabolomics-based approach to data analysis is required for drug metabolites to be identified quickly. This study developed such an approach based on high-resolution mass spectrometry. Our approach is a two-stage one that combines a… read more here.
Keywords: data analysis; metabolomics based; analysis; drug metabolites ... See more keywords