Danni Harris

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Substituted Tetrahydroisoquinolines as Selective Antagonists for the Orexin 1 Receptor

Selective influence on contextual memory: physiochemical properties associated with selectivity of benzodiazepine ligands at GABAA receptors containing the alpha5 subunit

Inhibition of CYP2B4 by 2-ethynylnaphthalene: evidence for the co-binding of substrate and inhibitor within the active site

Inhibition of CYP2B4 by the mechanism-based inhibitor 2-ethynylnaphthalene: inhibitory potential of 2EN is dependent on the size of the substrate

An adamantyl-substituted retinoid-derived molecule that inhibits cancer cell growth and angiogenesis by inducing apoptosis and binds to small heterodimer partner nuclear receptor: Effects of modifying its carboxylate group on apoptosis, proliferation, and

Metabolism of bergamottin by cytochromes P450 2B6 and 3A5

P450 active site architecture and reversibility: Inactivation of cytochromes P450 2B4 and 2B4 T302A by tert-butyl acetylenes

Antagonist analogue of 6-[3'-(1-adamantyl)-4'-hydroxyphenyl]-2-naphthalenecarboxylic acid (AHPN) family of apoptosis inducers that effectively blocks AHPN-induced apoptosis but not cell-cycle arrest

Theoretical study of the ligand-CYP2B4 complexes: Effect of structure on binding free energies and heme spin state

In silico predictive metabolism: A structural/electronic filter method

Determination of the rate of reduction of oxyferrous cytochrome P450 2B4 by 5-deazariboflavin adenine dinucleotide T491V cytochrome P450 reductase

Construction and assessment of models of CYP2E1: predictions of metabolism from docking, molecular dynamics, and density functional theoretical calculations

Oxidation and electronic state dependence of proton transfer in the enzymatic cycle of cytochrome P450eryF

Proton-transfer dynamics in the activation of cytochrome P450eryF

Cytochrome P450nor: A nitric oxide reductase—Structure, spectra, and mechanism

Molecular determinants of recognition and activation at GABAA/benzodiazepine receptors

High-valent intermediates of heme proteins and model compounds

Proximal ligand effects on electronic structure and spectra of compound I of peroxidases

Calculation of the electronic structure and spectra of model cytochrome P450 compound I

Development and assessment of a 3D pharmacophore for ligand recognition of BDZR/GABAA receptors initiating the anxiolytic response