Accession Number : ADA191712

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

Descriptive Note : Annual rept. 1 Jun 84-31 May 85,

Corporate Author : NEW JERSEY INST OF TECH NEWARK

Personal Author(s) : Gund, Tamara

PDF Url : ADA191712

Report Date : Aug 1985

Pagination or Media Count : 112

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.

Descriptors :   *ANTIDOTES, *LIGANDS, *MOLECULAR STRUCTURE, *PHARMACOLOGICAL ANTAGONISTS, ACETYLCHOLINE, COMPUTER PROGRAMS, DRUGS, MODELS, MOLECULE MOLECULE INTERACTIONS, MOLECULES, MUSCARINE, ORGANIC PHOSPHORUS COMPOUNDS, ORGANOPHOSPHATES, POISONS, PREVENTIVE MEDICINE, RECEPTION, SYNTHESIS(CHEMISTRY), TOPOGRAPHY

Subject Categories : Pharmacology
      Organic Chemistry

Distribution Statement : APPROVED FOR PUBLIC RELEASE