Molecular Mechanics Studies of Antihypertensive Val-Tyr Dipeptide

Abstract

The spatial structure of anti hypertensive dipeptide,Valine-Tyrosine was investigated within molecular mechanics framework. It ha, been shown that the molecule has such a structural organization which does not exclude the realization of two types of conformation: folded and extended. The energy and geometrical parameters for the optimal conformations of dipeptide are obtained. The electronic characteristics for these structures were analyzed by quantum chemical calculations.