Molecular Modeling in Drug Design for the Development of Organophosphorus Antidotes/Prophylactics.
Annual rept. 1 Jun 84-31 May 85,
NEW JERSEY INST OF TECH NEWARK
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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.
- Organic Chemistry