Molecular Modeling in Drug Design for the Development of Organophosphorus Antidotes/Prophylactics.

Abstract

Our long-term goal is to design drug against the acetylcholinesterase inhibitors by molecular modeling techniques and theoretically predicted action for drug. Prior to this effort, we need to have more knowledge of the three-dimensional structure of the acetylcholinesterase. In the current year, we have tested various biochemical procedures for purifying acetylcholinesterase from electrical eel in the form suitable for structural analysis by electron diffraction method. Preliminary result suggests the feasibility of crystallizing the acetylcholinesterase. New computer algorithm has been implemented for processing electron micrograph data for structural investigation. Keywords: Acetylcholinesterase, Computer, Electron Microscopy Crystal, Structure.

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Document Details

Document Type
Technical Report
Publication Date
Apr 30, 1985
Accession Number
ADA179117

Entities

People

  • Wah Chiiu

Organizations

  • University of Arizona

Tags

Communities of Interest

  • Biomedical

DTIC Thesaurus Topics

  • Acetylcholinesterases
  • Algorithms
  • Animal Structures
  • Antidotes
  • Biomedical Research
  • Classification
  • Computer Programs
  • Contracts
  • Diffraction
  • Electron Diffraction
  • Electron Microscopes
  • Electron Microscopy
  • Microscopes
  • Microscopy
  • Security
  • Three Dimensional
  • Universities

Fields of Study

  • Chemistry

Readers

  • Computational Modeling and Simulation
  • Neurotoxicology
  • Thin Film Deposition Science.

Technology Areas

  • Microelectronics