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

Abstract

We are interested in studying the muscarinic acetylcholine receptor. Our work will involve molecular modeling of muscarinic agonists and antagonists to determine their bioactive conformations. From the modeled ligands we hope to derive a pharmacophoric pattern common to the ligands. This pharmacophoric pattern will enable a topography of the muscarinic receptor to be derived which will facilitate the design of novel agonists and antagonists. The work will concentrate on the design of new antagonists which could be synthesized and tested by army collaborators. These antagonists we hope will prove to be new antidotes for organophosphate poisons. Keywords: Molecular structure; Molecule molecule interactions; Synthesis (Chemistry); Computer programs.

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Document Details

Document Type
Technical Report
Publication Date
Aug 01, 1985
Accession Number
ADA191712

Entities

People

  • Tamara Gund

Organizations

  • New Jersey Institute of Technology

Tags

Communities of Interest

  • Biomedical
  • Energy and Power Technologies
  • Materials and Manufacturing Processes

DTIC Thesaurus Topics

  • Chemistry
  • Computational Chemistry Methods
  • Computer Programming
  • Computer Programs
  • Computers
  • Contracts
  • Crystal Structure
  • Dihedral Angle
  • Engineering
  • Foreign Languages
  • Identification
  • Language
  • Literature
  • Molecular Orbital Theory
  • Molecules
  • Notation
  • Procurement

Fields of Study

  • Chemistry

Readers

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