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Full-Text Articles in Operations Research, Systems Engineering and Industrial Engineering
Detection Of Antibodies To Squalene Iii. Naturally Occurring Antibodies To Squalene In Humans And Mice, Gary R. Matyas, Mangala Rao, Phillip R. Pittman, Robert Burge, Iris E. Robbins, Nabila M. Wassef, Brandie Thivierge, Carl R. Alving
Detection Of Antibodies To Squalene Iii. Naturally Occurring Antibodies To Squalene In Humans And Mice, Gary R. Matyas, Mangala Rao, Phillip R. Pittman, Robert Burge, Iris E. Robbins, Nabila M. Wassef, Brandie Thivierge, Carl R. Alving
US Army Research
An ELISA-based assay is described for the measurement of antibodies to squalene (SQE) in human serum and plasma. The assay was adapted from the previously described assay for murine antibodies to SQE (J. Immunol. Methods 267 (2002) 119). Like the murine SQE antibody assay, the human antibody assay used sterile cell culture 96-well plates coated with SQE (20 nmol/well). Phosphate-buffered saline (PBS)–0.5% casein was used as both a blocking agent and dilution buffer. The assay has a high through-put capacity and is reproducible and quantitative. This assay was used to evaluate samples from three different human cohorts. The first cohort …
A Docking Score Function For Estimating Ligand-Protein Interactions: Application To Acetylcholinesterase Inhibition, Jianxin Guo, Margaret M. Hurley, Jeffery B. Wright, Gerald H. Lushington
A Docking Score Function For Estimating Ligand-Protein Interactions: Application To Acetylcholinesterase Inhibition, Jianxin Guo, Margaret M. Hurley, Jeffery B. Wright, Gerald H. Lushington
US Army Research
Acetylcholinesterase (AChE) inhibition is an important research topic because of its wide range of associated health implications. A receptor-specific scoring function was developed herein for predicting binding affinities for human AChE (huAChE) inhibitors. This method entails a statistically trained weighted sum of electrostatic and van der Waals (VDW) interactions between ligands and the receptor residues. Within the 53 ligand training set, a strong correlation was found (R2 = 0.89) between computed and experimental inhibition constants. Leave-oneout cross-validation indicated high predictive power (Q2 = 0.72), and analysis of a separate 16-compound test set also produced very good correlation with …
Matrix Isolation Infrared Spectroscopic And Theoretical Study Of The Interaction Of Water With Dimethyl Methylphosphonate, Bruce S. Ault, Alex Balboa, David Tevault, Margaret Hurley
Matrix Isolation Infrared Spectroscopic And Theoretical Study Of The Interaction Of Water With Dimethyl Methylphosphonate, Bruce S. Ault, Alex Balboa, David Tevault, Margaret Hurley
US Army Research
Matrix isolation infrared spectroscopy has been combined with theoretical calculations for the characterization of the 1:1 hydrogen-bonded complex between H2O and dimethyl methylphosphonate (DMMP). The symmetric O-H stretching mode was observed to shift 203 cm-1 to lower energy upon hydrogen bond formation, while a 32 cm-1 blue shift was noted for the H-O-H bending mode of the H2O subunit in the complex. These values compare extremely well with the (unscaled) shifts of -203 and +32 cm-1, respectively, that were calculated theoretically at the MP2/6-31+G** level. Additional perturbed modes of the DMMP subunit …
Structure/Function Analyses Of Human Serum Paraoxonase (Hupon1) Mutants Designed From A Dfpase-Like Homology Model, David T. Yeung, Denis Josse, James D. Nicholson, Akhil Khanal, Christopher W. Mcandrew, Brian B. Bahnson, David E. Lenz, Douglas M. Cerasoli
Structure/Function Analyses Of Human Serum Paraoxonase (Hupon1) Mutants Designed From A Dfpase-Like Homology Model, David T. Yeung, Denis Josse, James D. Nicholson, Akhil Khanal, Christopher W. Mcandrew, Brian B. Bahnson, David E. Lenz, Douglas M. Cerasoli
US Army Research
Human serum paraoxonase (HuPON1) is a calcium-dependent enzyme that hydrolyzes esters, including organophosphates and lactones, and exhibits anti-atherogenic properties. A few amino acids have been shown to be essential for the enzyme’s arylesterase and organophosphatase activities. Until very recently, a three-dimensional model was not available for HuPON1, so functional roles have not been assigned to those residues. Based on sequence-structure alignment studies, we have folded the amino acid sequence of HuPON1 onto the sixfold β-propeller structure of squid diisopropylfluorophosphatase (DFPase). We tested the validity of this homology model by circular dichroism (CD) spectroscopy and site-directed mutagenesis. Consistent with predictions from …