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Miller, Grover

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My goals are to assess the biological significance of metabolic activation and clearance of molecules especially related to pharmacological and toxicological effects. In practice, my group leverages powerful analytical and biochemical tools to identify and quantitate small molecules including drugs, pollutants, and food additives during metabolism and correlate findings to biological activity and in vivo outcomes such as liver toxicity. Individual projects aim to (1) determine metabolic mechanisms, efficiencies, and fluxes for activation and elimination of toxic molecules, (2) identify metabolite biomarkers in humans and animal models for correlating in vitro findings to in vivo outcomes and leveraging their diagnostic, theragnostic, and prognostic potential, and (3) develop computational models for drug bioactivation and clearance contributing to adverse drug events to make drugs safer for clinical use. Moreover, I seek translation of novel analytical and diagnostic tools into practical, commercially viable tools. Over time, my research expanded from detailed in vitro metabolic studies to metabolite profiling for translational studies and development of models of metabolism, structure, and reactivity that were made possible through strong, interdisciplinary collaborations.

One or more keywords matched the following items that are connected to Miller, Grover

Item Type	Name
Academic Article	The first aspartic acid of the DQxD motif for human UDP-glucuronosyltransferase 1A10 interacts with UDP-glucuronic acid during catalysis.
Academic Article	CYP2E1 active site residues in substrate recognition sequence 5 identified by photoaffinity labeling and homology modeling.
Academic Article	CYP2E1 substrate inhibition. Mechanistic interpretation through an effector site for monocyclic compounds.
Academic Article	CYP2E1 metabolism of styrene involves allostery.
Academic Article	Global analysis of protein-protein interactions reveals multiple CYP2E1-reductase complexes.
Academic Article	Advances in the interpretation and prediction of CYP2E1 metabolism from a biochemical perspective.
Academic Article	Beta sheet 2-alpha helix C loop of cytochrome P450 reductase serves as a docking site for redox partners.
Academic Article	Predicting CYP2C19 catalytic parameters for enantioselective oxidations using artificial neural networks and a chirality code.
Concept	Models, Chemical
Concept	Models, Biological
Concept	Models, Statistical
Concept	Models, Molecular
Academic Article	Cooperativity in CYP2E1 metabolism of acetaminophen and styrene mixtures.
Academic Article	Site of reactivity models predict molecular reactivity of diverse chemicals with glutathione.
Academic Article	Structural basis for cooperative binding of azoles to CYP2E1 as interpreted through guided molecular dynamics simulations.
Academic Article	Subcellular localization of rat CYP2E1 impacts metabolic efficiency toward common substrates.
Academic Article	Modeling Epoxidation of Drug-like Molecules with a Deep Machine Learning Network.
Academic Article	Modeling Reactivity to Biological Macromolecules with a Deep Multitask Network.
Academic Article	Computational Approach to Structural Alerts: Furans, Phenols, Nitroaromatics, and Thiophenes.
Academic Article	Computationally Assessing the Bioactivation of Drugs by N-Dealkylation.
Academic Article	Lamisil (terbinafine) toxicity: Determining pathways to bioactivation through computational and experimental approaches.
Grant	Computationally modeling the impact of ontogeny on drug metabolic fate
Grant	RATE LIMITING STEPS IN CYTOCHROME P450 CATALYSIS
Grant	Effects of Genetic Diversity on Carcinogen Metabolism
Grant	DATA AND TOOLS FOR MODELING METABOLISM AND REACTIVITY
Academic Article	CYP2C19 and 3A4 Dominate Metabolic Clearance and Bioactivation of Terbinafine Based on Computational and Experimental Approaches.
Academic Article	A Time-Embedding Network Models the Ontogeny of 23 Hepatic Drug Metabolizing Enzymes.
Academic Article	Comprehensive kinetic and modeling analyses revealed CYP2C9 and 3A4 determine terbinafine metabolic clearance and bioactivation.
Academic Article	Significance of Multiple Bioactivation Pathways for Meclofenamate as Revealed through Modeling and Reaction Kinetics.
Academic Article	Machine learning liver-injuring drug interactions with non-steroidal anti-inflammatory drugs (NSAIDs) from a retrospective electronic health record (EHR) cohort.

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