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Electronic structure and hypolipidemic activity of phthalimide and related compounds. A QSAR study

✍ Scribed by Mozart N. Ramos; Benício de B. Neto

Publisher
John Wiley and Sons
Year
1990
Tongue
English
Weight
303 KB
Volume
11
Category
Article
ISSN
0192-8651

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✦ Synopsis

Abstract

The hypolipidemic activities of phthalimide and seven related compounds are subjected to a QSAR analysis based on results from AM1 molecular orbital calculations. Least‐squares fits show a correlation of the activities with LUMO energies and carbonyl polarities and predict enhanced activities for two new phthalimide derivatives.

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## Abstract Omeprazole and analogues were studied with respect to their activity as inhibitors of urease __Helicobacter pylori__. Conformational analysis was performed according to the method proposed by Bruni __et al.__ Theoretical descriptors were calculated by an __ab initio__ method (6–31G\*\*