INSILICO DEVELOPMENT OF NOVEL RSK2 INHIBITORS USING DOCKING AND PHARMACOPHORE STUDIES

K. Devi, C. Nagamani, G. Sridharbabu, Rajashekar Vadlakonda and Sreenivas Enaganti*

ABSTRACT

Ribosomal S6 kinase (RSK2) belongs to family of serine/threonine kinases responsible for regulating cellular growth and differentiation. On account of the pathogenic role played by RSK2 in cancer, it has been recognised as a favourable drug target in cancer. Available molecular structure of RSK2 NTKD shows N-terminal and C-terminal lobes and an ATP-binding region residing between the cleft of these lobes. In the present study, an attempt has been made for development of ATP competitive inhibitors using insilico techniques through hybrid molecule concept where distinct functional moeities of either natural or unnatural molecules are constructed with new properties that enhances+ their activity. Pharmacophore mapping and docking studies were performed and new ligands were designed as RSK2 inhibitors.

Keywords: Cancer, Docking, Hybrid Molecules, Pharmacophore mapping, Ribosomal S6 kinase.