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- Androgen receptor (1)
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Articles 1 - 5 of 5
Full-Text Articles in Physical Sciences and Mathematics
A Kinetic Analysis Of The Conformational Flexibility Of Steroid Hormones, Steven P. Bradbury, Julian Ivanov, Ovanes Mekenyan, Gerritt Schüürmann
A Kinetic Analysis Of The Conformational Flexibility Of Steroid Hormones, Steven P. Bradbury, Julian Ivanov, Ovanes Mekenyan, Gerritt Schüürmann
Steven P. Bradbury
For a set of 10 androgen steroids and estradiol (E2), the kinetic feasibility of conformation flexibility of the cyclic moieties was studied under the constraint of maintaining the B/C trans and C/D trans ring fusion of the natural and biologically active enantiomer. To this end, the conformational energy surface was quantified using the semiempirical quantum chemical AM1 model. The computational analysis included the location of Conformational transition states with associated barriers, and intrinsic reaction coordinate (IRC) calculations to characterize the trajectories of the rotations and the relationships of the transition states to neighbouring chair and twist conformations. Conformational transformations were …
Neurological Effects On Startle Response And Escape From Predation By Medaka Exposed To Organic Chemicals, Steven P. Bradbury, Richard W. Carlson, Robert A. Drummond, Dean E. Hammermeister
Neurological Effects On Startle Response And Escape From Predation By Medaka Exposed To Organic Chemicals, Steven P. Bradbury, Richard W. Carlson, Robert A. Drummond, Dean E. Hammermeister
Steven P. Bradbury
Simultaneous electrophysiological and behavioral studies were performed on 21–32 day old juvenile medaka (Oryzias latipes) exposed at sublethal concentrations to organic chemicals representing various modes of action. Non-invasive recordings were made of the electrical impulses generated within giant neuronal Mauthner cells, associated interneurons and motoneurons, and axial musculature, all of which initiate the startle or ‘escape’ response in fish. Timing in ms between these electrical sequelae was measured for each fish before and after 24 and 48 h exposure to a chemical. Carbaryl and phenol affected Mauthner cell to motoneuron transmission while chlorpyrifos, carbaryl, phenol and 2,4-dinitrophenol (DNP) showed neuromuscular …
A Comparative Study Of Molecular Similarity, Statistical, And Neural Methods For Predicting Toxic Modes Of Action, Steven P. Bradbury, Subhash C. Basak, Gregory D. Grunwald, George E. Host, Gerald J. Niemi
A Comparative Study Of Molecular Similarity, Statistical, And Neural Methods For Predicting Toxic Modes Of Action, Steven P. Bradbury, Subhash C. Basak, Gregory D. Grunwald, George E. Host, Gerald J. Niemi
Steven P. Bradbury
Quantitative structure–activity relationship (QSAR) models are routinely used in predicting toxicologic and ecotoxicologic effects of untested chemicals. One critical factor in QSAR-based risk assessment is the proper assignment of a chemical to a mode of action and associated QSAR. In this paper, we used molecular similarity, neural networks, and discriminant analysis methods to predict acute toxic modes of action for a set of 283 chemicals. The majority of these molecules had been previously determined through toxicodynamic studies in fish to be narcotics (two classes), electrophiles/proelectrophiles, uncouplers of oxidative phosphorylation, acetylcholinesterase inhibitors, and neurotoxicants. Nonempirical parameters, such as topological indices and …
Species Delineation And The Identification Of Evolutionarily Significant Units: Lessons From The Freshwater Mussel Genus Potamilus (Bivalvia: Unionidae), Kevin J. Roe, Charles Lydeard
Species Delineation And The Identification Of Evolutionarily Significant Units: Lessons From The Freshwater Mussel Genus Potamilus (Bivalvia: Unionidae), Kevin J. Roe, Charles Lydeard
Kevin J. Roe
Accurate identification of biological entities is critical to the timely and efficient preservation of biodiversity. Concepts that define segments of biological diversity--species and evolutionarily significant units (ESUs)--should reflect our current knowledge of the biological world. Conflation of different hierarchical definitions of taxa has the potential to obscure distinct biological entities in need of protection. The concept of the ESU has been criticized because it includes within its definition distinct biological entities that otherwise would be recognized as species. Herein we evaluate several versions of the evolutionary significant unit concept and provide as a case study an analysis of geographic variation …
The Role Of Ligand Flexibility In Predicting Biological Activity: Structure–Activity Relationships For Aryl Hydrocarbon, Estrogen, And Androgen Receptor Binding Affinity, Steven P. Bradbury, Ovanes G. Mekenyan, Gerald T. Ankley
The Role Of Ligand Flexibility In Predicting Biological Activity: Structure–Activity Relationships For Aryl Hydrocarbon, Estrogen, And Androgen Receptor Binding Affinity, Steven P. Bradbury, Ovanes G. Mekenyan, Gerald T. Ankley
Steven P. Bradbury
Recent studies indicate that the potency and agonist or antagonist activity of steroid hormone ligands are dependent, in part, on ligand–receptor binding affinity as well as the conformation of the ligand–receptor complex. The binding of ligands to hormone receptors is thought to involve interactions by which shapes of both the receptor and ligand are modified in the formation of the ligand–receptor complex. As a consequence, it is essential to explore the significance of ligand flexibility in the development of screening-level structure–activity relationships. In this review, examples are provided of techniques used to generate and screen ligand conformers in the development …