RT Journal Article
SR Electronic
T1 The Use of Molecular Orbital Calculations as an Aid to Correlate the Structure and Activity of Cholinesterase Inhibitors
JF Molecular Pharmacology
JO Mol Pharmacol
FD American Society for Pharmacology and Experimental Therapeutics
SP 137
OP 144
VO 1
IS 2
A1 NEELY, W. BROCK
YR 1965
UL http://molpharm.aspetjournals.org/content/1/2/137.abstract
AB 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.