A versatile toolkit for drug metabolism studies with GNPS2: from drug development to clinical monitoring
Jun Sang Yu, Young Beom Kwak, Kyung Hwa Kee, Mingxun Wang, Dong‐Hyun Kim, Pieter C. Dorrestein, Kyo Bin Kang, Hye Hyun Yoo
Topics & Concepts
Drug discoveryDrug developmentComputational biologyDrug metabolismComputer scienceDrugProtocol (science)MetaboliteTandem mass spectrometryIdentification (biology)Mechanism (biology)Steroid MetabolismBioinformaticsPharmacologyProcess (computing)MetabolomicsLiquid chromatography–mass spectrometryDrug candidateSystems biologyChemistryCellular metabolismBiologyBiochemical engineeringMetabolite profilingLiver metabolismMetabolomics and Mass Spectrometry StudiesPharmacogenetics and Drug MetabolismComputational Drug Discovery Methods