<i>In silico</i> and <i>in vitro</i> metabolism of ribociclib: a mass spectrometric approach to bioactivation pathway elucidation and metabolite profiling
Thamer A. Alsubi, Mohamed W. Attwa, Ahmed H. Bakheit, Hany W. Darwish, Hatem A. Abuelizz, Adnan A. Kadi
Abstract
Nine phase I metabolites and one product of KCN trapping of RBC were characterized. Aryl piperazine is considered a structural alert for toxicity as proposed by the DEREK report. <bold>Methyl-RBC</bold> exhibited less toxicity and more binding affinity to CDK6.
Topics & Concepts
In silicoChemistryMetabolite profilingMetaboliteComputational biologyIn vitroMetabolomicsProfiling (computer programming)Metabolic pathwayMetabolismBiochemistryChromatographyBiologyComputer scienceGeneOperating systemAdvanced Breast Cancer TherapiesMetabolism, Diabetes, and CancerLung Cancer Research Studies