Molecular Modeling in Drug Design for the Development of Organophosphorus Antidotes/Prophylactics.
Annual rept. 1 May 84-30 Apr 85,
ARIZONA UNIV TUCSON DEPT OF BIOCHEMISTRY
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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.