Identification of Leads as Topoisomerase-II Inhibitors Using Pharmacophore Mapping
International Journal of Pharmacy and Chemistry
Volume 2, Issue 2, November 2016, Pages: 24-30
Received: Aug. 27, 2016;
Accepted: Oct. 12, 2016;
Published: Oct. 28, 2016
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Deveeka Zamare, Department of Biotechnology, Sreenidhi Institute of Science and Technology, Hyderabad, India
Shraddha Choudhary, Rajiv Gandhi Institute of IT and Biotechnology, Bharati Vidyapeeth University, Pune, India
Bishwambhar Mishra, Department of Biotechnology, Sreenidhi Institute of Science and Technology, Hyderabad, India
DNA topoisomerases are unique enzymes which play a major role in solving the topological problems associated with DNA molecule. Topoisomerase enzymes are highly expressed in cells which undergo rapid and uncontrolled cell divisions. Inhibition of this enzyme represents a major potential therapeutic approach for cancer. The computational tools that have allowed understanding the biological functions of Topoisomerase-II are being applied to understanding drug action. In this study, we have developed a quantitative pharmacophore model based on topoisomerase inhibitors collected from the literature. Molecular Docking Analysis was performed with AutoDock4 Software. Topoisomerase II (PDB-id 2RGR) was selected for finding its potent inhibitor. A comprehensive molecular modelling was performed to identify the pertinent features that could be used as a starting point for design of ligands with increased affinity and target selectivity. According to the pharmacophore mapping, the resulting pharmacophoric points could be used for the generation of new molecule that include all this point and hence will act as a better inhibitor for Topoisomerase II receptor.
Identification of Leads as Topoisomerase-II Inhibitors Using Pharmacophore Mapping, International Journal of Pharmacy and Chemistry.
Vol. 2, No. 2,
2016, pp. 24-30.
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