Абстрактный

Theoretical Investigations on Structural Features of Sulfonyl-Urea for Drug Design

Khaled M. Elsabawy

Structural properties of sulfonyl-urea as active moeity are controlled by its internal structural features. The structural investigations are focused on the parameters such as bond distances inside unit cell, torsion angles and different oxidation states present together inside unit cell. All of these structural parameters play an important role in the stability of this moeity as functionalized group, which could be linked with many active groups. The visualization studies specially bond distances measurements indicated that there are three different types of N-H bonds. Furthermore, visualized XRD pattern was constructed and the fingure print peaks of sulphoyl urea, which lies at two theta ~25 with [200] muller index were compared and discussed in detail.