• Sarita Rajender Potlapally
• Muddagoni Narasimha
• Revanth Bathula
• Mahender Dasari
• Sravanthi Nakkala

Breast cancer is the most common persistent cancer and the second main cause of cancer death in women.Sgk3 protein is serum glucocorticoid inducible kinase-3 belonging to AGC family kinase protein. It is also called as CISK (cytokine independent survival kinase). Sgk3 works as an estrogen receptor and endorses estrogen-mediated cell survival causing breast cancer. The present work involves identification of leads against sgk3 protein. The 3D structure of sgk3 protein is built using homology modeling techniques. Molecular dynamics simulation is carried out using NAMD for energy minimisation of the protein .Validation is performed by Ramchandran plot, proSA and errat. Further, active site is determined using different servers, Site map and literature studies. Grid is generated using active site residues and Asinex ligand molecules are docked at the binding region. Based on the scoring functions and ADME properties new chemical entities are identified. Synthesis of new analogues will be carried out, which inhibits cell proliferation to prevent breast cancer.

Homology modeling, Molecular dynamics, validation, virtual screening, ADME properties

"HOMOLOGY MODELING AND VIRTUAL SREENING: A FAST TOOL FOR DRUG DESIGN", International Journal of Emerging Technologies and Innovative Research (www.jetir.org), ISSN:2349-5162, Vol.6, Issue 6, page no.119-131, June-2019, Available :http://www.jetir.org/papers/JETIR1906748.pdf

"HOMOLOGY MODELING AND VIRTUAL SREENING: A FAST TOOL FOR DRUG DESIGN", International Journal of Emerging Technologies and Innovative Research (www.jetir.org | UGC and issn Approved), ISSN:2349-5162, Vol.6, Issue 6, page no. pp119-131, June-2019, Available at : http://www.jetir.org/papers/JETIR1906748.pdf