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Abstract

STUDY AND DESIGN OF BENZAMIDE AND PYRIDINECARBOXAMIDE DERIVATIVES AS A GLUCOKINASE ACTIVATOR

Dhanraj Patidar*, Sailesh Narayan, Rajeev Malviya and Phool Singh Yaduwanshi

ABSTRACT

Background: The series that was chosen for QSAR studies contained two basic moieties i.e. pyridinecarboxamide and benzamide. 58 compounds were chosen from the published article. Method: Work station was a computer with operating system and mass storage facility integrated with graphical display. All the computational studies were performed on a Microsoft Window XP running on Pentium-Dprocessor. QSAR study has been done by using the Vlife MDS software provided by Vlife Sciences Technologies Pvt. Ltd. Pune, India. Results: Compound DDR63 was found as the potent compound with EC 50 value of 1.375μM and the compound DDR73 showed the least potency with EC 50 value of 19.198μM among the designed compounds. It shows that substitution at 3rd position of thiophenyl with ethoxy group is important for the activity. Conclusion: On the basis of descriptors suggested by 2D QSAR, 3D QSAR and 3D show point grid, 33 compounds were designed and their activity was predicted taking 3D model as reference. The compound namely (DDR63) 3-[(3- ethoxyphenyl)sulphonyl]-N- (1,3-thiazol- 2-yl)- 6-(4H- 1,2,4-triazol- 3- ylsulfanyl)pyridine-2- carboxamide was found to be the most potent compound among the designed compounds with predicted activity 1.375 μM.

Keywords: Quantitative structure activity relationship, Diabetes mellitus, Glucokinase enzyme, glucokinase activator.


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