Designing of Sulfanilamide/Sulfacetamide Derivatives as Human Topoisomerase II Inhibitor: A Docking Approach

Sapna Rani¹, Ajeet^1, and Arvind Kumar¹

¹Department of Pharmaceutical Chemistry and Drug Design, S. D. College of Pharmacy and Vocational Studies, Muzaffarnagar, India

Cite this paper:
Sapna Rani, Ajeet and Arvind Kumar. Designing of Sulfanilamide/Sulfacetamide Derivatives as Human Topoisomerase II Inhibitor: A Docking Approach. American Journal of Pharmacological Sciences. 2014; 2(2):42-46. doi: 10.12691/ajps-2-2-3

Abstract

Diseases characterized by out-of-control cell growth are known as cancer. One of the most important mechanisms for handling it is the inhibition of the human topoisomerase II receptor. In same context while studying the treatment of cancer we found the significant effects of the derivatives of the sulfonamides, this promotes us to design novel derivatives by the means of in-silico resources with anticancer effects. Molecular docking approaches are routinely used in modern drug design to help understand drug–receptor interaction. This study has been performed with the help of Chemdraw Ultra 7.0, AutoDock Vina (Python Prescription 0.8), and PaDEL software. Results revealed that ligand-protein interaction affinity of all 12 designed molecules ranges from -6.8 Kcal/mol to -8.6 Kcal/mol which is approximately comparable to pre-existing human topoisomerase II inhibitor i.e. etoposide (CID: 36462, ligand-protein interaction affinity is -9.7 Kcal/mol).

Keywords:
sulfonamide docking human topoisomerase II inhibitors etoposide protein-ligand interaction affinity

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