“
“Small molecule drugs target many core metabolic enzymes in humans and pathogens, often mimicking endogenous ligands. The effects may be therapeutic or toxic, but are frequently unexpected. A large-scale mapping of the intersection between drugs and metabolism is needed to better guide drug discovery. To map the intersection between drugs and metabolism, we have grouped drugs and metabolites by their associated targets and enzymes using SB203580 supplier ligand-based set signatures created

to quantify their degree of similarity in chemical space. The results reveal the chemical space that has been explored for metabolic targets, where successful drugs have been found, and what novel territory remains. To aid other researchers in their drug discovery efforts, we have created an online selleck chemical resource of interactive maps linking drugs to metabolism. These maps predict the “”effect space”" comprising likely target enzymes for each of the 246 MDDR drug classes in humans.

The online resource also provides species-specific interactive drug-metabolism maps for each of the 385 model organisms and pathogens in the BioCyc database collection. Chemical similarity links between drugs and metabolites predict potential toxicity, suggest routes of metabolism, and reveal drug polypharmacology. The metabolic maps enable interactive navigation of the vast biological data on potential metabolic drug targets and the drug chemistry currently available to prosecute those targets. Thus, this work provides a large-scale approach to ligand-based

prediction of drug action in small molecule metabolism.”
“Reinforcement A-1210477 mouse of polyurethane-based shape memory polymer materials was investigated by adding hindered phenol compounds and silica particles. According to dynamic mechanical analysis, these fillers had no effect on the glass transition temperature and the activation energy of soft segments, indicating that the fillers have no ability to influence the molecular mobility stress was increased primarily by addition of the hindered phenols rather than the silica particles, whereas Young’s modulus was enhanced by the silica particles rather than the hindered phenols. (C) 2010 Wiley Periodicals, Inc. J Appl Polym Sci 117: 1695-1702, 2010″
“To understand the physical meaning of threshold voltage in organic field-effect transistors (OFETs), we studied the threshold voltage (shift) dependence on gate-insulator thickness as well as active-layer thickness, by using pentacene OFETs with and without a dipole interlayer between pentacene active layer and SiO(2) gate insulator. Results showed that the presence of dipole monolayer caused a large threshold voltage shift and there was a linear relationship between the threshold voltage shift and the layer thickness of pentacene as well as SiO(2).