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Molecular Pharmacology

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Research ArticleArticle

The Use of Molecular Orbital Calculations as an Aid to Correlate the Structure and Activity of Cholinesterase Inhibitors

W. BROCK NEELY
Molecular Pharmacology September 1965, 1 (2) 137-144;
W. BROCK NEELY
The Biochemical Research Laboratory, The Dow Chemical Company, Midland, Michigan
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Abstract

This study is an attempt to use molecular orbital (MO) calculations as an aid in correlating chemical structure with the ability of the material to act as a cholinesterase inhibitor. Several different carbamates and organophosphates were examined in this fashion. The interpretation of the results illustrates the utility of MO theory in correlation studies. In addition, it suggests a new way of looking at the action of certain inhibitors of cholinesterase.

  • Copyright ©, 1965, by Academic Press Inc.

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Molecular Pharmacology
Vol. 1, Issue 2
1 Sep 1965
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Research ArticleArticle

The Use of Molecular Orbital Calculations as an Aid to Correlate the Structure and Activity of Cholinesterase Inhibitors

W. BROCK NEELY
Molecular Pharmacology September 1, 1965, 1 (2) 137-144;

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Research ArticleArticle

The Use of Molecular Orbital Calculations as an Aid to Correlate the Structure and Activity of Cholinesterase Inhibitors

W. BROCK NEELY
Molecular Pharmacology September 1, 1965, 1 (2) 137-144;
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