<span style="font-size:12.0pt;line-height:115%; font-family:"Times New Roman";mso-fareast-font-family:"Times New Roman"; mso-ansi-language:EN-IN;mso-fareast-language:EN-IN;mso-bidi-language:HI">Molecular Electrostatic Potential (MESP) studies on the anti-hyperglycemic agents— 2,5-dihydroxyquinones</span>

Abstract

The mapping of Molecular Electrostatic Potential (MESP) has been carried out on 2,5-dihydroxyquinone derivatives to bring out the common set of electronic characteristic s of molecules that act as effective insulin mimetic agent s. A force- field based systematic conformational search has also been carried out on each system to obtain the least energy conformer The geometry optimization of the lowest energy conformer is carried out using quantum chemical B3LYP/3-21 G method on each system to obtain the wave function. The MESP isosurface plots have been gene rated and the critical point characteristics estimated for these molecules. The coplanarity of the two terminal rings attached to central 2,5-dih ydroxyquinone ring as well as the availability of the nearby oxygen lo ne pair is seen to play important role in defining the anti-diabetic activity of the molecules.