Investigation of antisecretory activities of imidazo (1,2,a) pyridinylethylbenzoxazoles with the electron topological method

Abstract

Relationship structure-antisecretory of a series of Imidazo[l,2,a]pyridinylethyl benzoxazole derivatives which is known to be either active-inactive or their activity which is known quantitatively are investigated theoretically with Electron Topological Method (ETM). This technique can identify active fragment, related activity, belongs to the series of compounds and can quantitatively give the values of some compounds whose secretion activities cannot be measured experimentally. For 47 compounds, conformational analysis and quantum chemical calculations were done, and unit matrix representing electronic character was calculated, and active fragment in the active compounds were extracted.