Eugene Demchuk

Summary

Affiliation: Centers for Disease Control and Prevention
Country: USA

Publications

  1. doi request reprint Modeling chemical interaction profiles: II. Molecular docking, spectral data-activity relationship, and structure-activity relationship models for potent and weak inhibitors of cytochrome P450 CYP3A4 isozyme
    Yunfeng Tie
    Division of Toxicology and Environmental Medicine, Agency for Toxic Substances and Disease Registry, Atlanta, GA 30333, USA
    Molecules 17:3407-60. 2012
  2. doi request reprint Modeling chemical interaction profiles: I. Spectral data-activity relationship and structure-activity relationship models for inhibitors and non-inhibitors of cytochrome P450 CYP3A4 and CYP2D6 isozymes
    Brooks McPhail
    Division of Toxicology and Environmental Medicine, Agency for Toxic Substances and Disease Registry, Atlanta, GA 30333, USA
    Molecules 17:3383-406. 2012
  3. doi request reprint SAR/QSAR methods in public health practice
    Eugene Demchuk
    Agency for Toxic Substances and Disease Registry ATSDR, Division of Toxicology and Environmental Medicine, Atlanta, GA 30333, USA
    Toxicol Appl Pharmacol 254:192-7. 2011
  4. ncbi request reprint Nearest-neighbor nonparametric method for estimating the configurational entropy of complex molecules
    Vladimir Hnizdo
    National Institute for Occupational Safety and Health, Morgantown, West Virginia 26505, USA
    J Comput Chem 28:655-68. 2007
  5. ncbi request reprint Impact of silanol surface density on the toxicity of silica aerosols measured by erythrocyte haemolysis
    Vladimir Murashov
    Health Effects Laboratory Division, Centers for Disease Control and Prevention, National Institute for Occupational Safety and Health, Morgantown, West Virginia, USA
    J Occup Environ Hyg 3:718-23. 2006
  6. ncbi request reprint A comparative study of unrelaxed surfaces on quartz and kaolinite, using the periodic density functional theory
    Vladimir V Murashov
    Health Effects Laboratory Division, National Institute for Occupational Safety and Health, Centers for Disease Control and Prevention, Morgantown, West Virginia 26505, USA
    J Phys Chem B 109:10835-41. 2005
  7. ncbi request reprint Immunogenetic factors in beryllium sensitization and chronic beryllium disease
    Ainsley Weston
    Toxicology and Molecular Biology Branch, Health Effects Laboratory Division, National Institute for Occupational Safety and Health, 1095 Willowdale Road, Mailstop L 3014, Morgantown, WV 26505 2888, USA
    Mutat Res 592:68-78. 2005
  8. ncbi request reprint Structure-activity models for contact sensitization
    Adam Fedorowicz
    National Institute for Occupational Safety and Health, Morgantown, WV 26505 2888, USA
    Chem Res Toxicol 18:954-69. 2005
  9. ncbi request reprint Statistical thermodynamics of internal rotation in a hindering potential of mean force obtained from computer simulations
    Vladimir Hnizdo
    National Institute for Occupational Safety and Health, Morgantown, West Virginia 26505 2888, USA
    J Comput Chem 24:1172-83. 2003
  10. ncbi request reprint Topographical organization of the N-terminal segment of lung pulmonary surfactant protein B (SP-B(1-25)) in phospholipid bilayers
    Yudong Wang
    Health Effects Laboratory Division, National Institute for Occupational Safety and Health, Morgantown, West Virginia 26505, USA
    Biochemistry 42:4015-27. 2003

Collaborators

Detail Information

Publications11

  1. doi request reprint Modeling chemical interaction profiles: II. Molecular docking, spectral data-activity relationship, and structure-activity relationship models for potent and weak inhibitors of cytochrome P450 CYP3A4 isozyme
    Yunfeng Tie
    Division of Toxicology and Environmental Medicine, Agency for Toxic Substances and Disease Registry, Atlanta, GA 30333, USA
    Molecules 17:3407-60. 2012
    ..It may serve also as an estimate of chemical interactions via CYP3A4 metabolic pharmacokinetic pathways occurring through polypharmacy and nutritional and environmental exposures to chemical mixtures...
  2. doi request reprint Modeling chemical interaction profiles: I. Spectral data-activity relationship and structure-activity relationship models for inhibitors and non-inhibitors of cytochrome P450 CYP3A4 and CYP2D6 isozymes
    Brooks McPhail
    Division of Toxicology and Environmental Medicine, Agency for Toxic Substances and Disease Registry, Atlanta, GA 30333, USA
    Molecules 17:3383-406. 2012
    ..Therefore, the pharmacological and environmental health branches are both expected to benefit from these reported models...
  3. doi request reprint SAR/QSAR methods in public health practice
    Eugene Demchuk
    Agency for Toxic Substances and Disease Registry ATSDR, Division of Toxicology and Environmental Medicine, Atlanta, GA 30333, USA
    Toxicol Appl Pharmacol 254:192-7. 2011
    ..These cases are illustrated by several examples, which explain how ATSDR applies (Q)SAR methods in public health practice...
  4. ncbi request reprint Nearest-neighbor nonparametric method for estimating the configurational entropy of complex molecules
    Vladimir Hnizdo
    National Institute for Occupational Safety and Health, Morgantown, West Virginia 26505, USA
    J Comput Chem 28:655-68. 2007
    ....
  5. ncbi request reprint Impact of silanol surface density on the toxicity of silica aerosols measured by erythrocyte haemolysis
    Vladimir Murashov
    Health Effects Laboratory Division, Centers for Disease Control and Prevention, National Institute for Occupational Safety and Health, Morgantown, West Virginia, USA
    J Occup Environ Hyg 3:718-23. 2006
    ..These findings suggest a new view of aerosol toxicity based on the estimation of surface site densities. The results can be used in the development of new toxicological assays for respirable particulates, including nanomaterials...
  6. ncbi request reprint A comparative study of unrelaxed surfaces on quartz and kaolinite, using the periodic density functional theory
    Vladimir V Murashov
    Health Effects Laboratory Division, National Institute for Occupational Safety and Health, Centers for Disease Control and Prevention, Morgantown, West Virginia 26505, USA
    J Phys Chem B 109:10835-41. 2005
    ..These results provide a foundation for further characterization of the surface properties of mechanically comminuted respirable silica particulate and for reduction of occupational health hazards due to pulverized silica...
  7. ncbi request reprint Immunogenetic factors in beryllium sensitization and chronic beryllium disease
    Ainsley Weston
    Toxicology and Molecular Biology Branch, Health Effects Laboratory Division, National Institute for Occupational Safety and Health, 1095 Willowdale Road, Mailstop L 3014, Morgantown, WV 26505 2888, USA
    Mutat Res 592:68-78. 2005
    ....
  8. ncbi request reprint Structure-activity models for contact sensitization
    Adam Fedorowicz
    National Institute for Occupational Safety and Health, Morgantown, WV 26505 2888, USA
    Chem Res Toxicol 18:954-69. 2005
    ..3, 82.9, and 87.6% for TOPKAT, DEREK for Windows, and the logistic regression model, respectively. The correct classification using LLNA data equals 73.0 and 83.2% for DEREK for Windows and the logistic regression model, respectively...
  9. ncbi request reprint Statistical thermodynamics of internal rotation in a hindering potential of mean force obtained from computer simulations
    Vladimir Hnizdo
    National Institute for Occupational Safety and Health, Morgantown, West Virginia 26505 2888, USA
    J Comput Chem 24:1172-83. 2003
    ....
  10. ncbi request reprint Topographical organization of the N-terminal segment of lung pulmonary surfactant protein B (SP-B(1-25)) in phospholipid bilayers
    Yudong Wang
    Health Effects Laboratory Division, National Institute for Occupational Safety and Health, Morgantown, West Virginia 26505, USA
    Biochemistry 42:4015-27. 2003
    ....
  11. pmc A statistical model for assessing genetic susceptibility as a risk factor in multifactorial diseases: lessons from occupational asthma
    Eugene Demchuk
    Division of Toxicology and Environmental Medicine, Agency for Toxic Substances and Disease Registry, Centers for Disease Control and Prevention, Atlanta, Georgia, USA
    Environ Health Perspect 115:231-4. 2007
    ..The genetic components most responsible for differences in individual disease risk are thought to be DNA variants (polymorphisms) that influence the expression or function of mediators involved in the pathological processes...