HOMOLOGY MODELING AND DOCKING STUDIES OF BCL2L10-HUMAN INVOLVED IN CANCER
|S.Murali Mohan1, Mohammad HekmatAfshar2, Mohammad Munawar3, D.Jayasimha Rayalu4
|Received: 19 September 2012 Accepted: 30 September 2012|
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Homology modeling and flexible docking of Bcl2L10 has been studied in silico approach. Blast result was found to have similarity with Bcl2L10 of 48% identity with 2KUA. Active site of Bcl2L10 was identified by CASTP. Large potential drugs were designed for identifying molecules that can likely bind to protein target of interest. The different drug derivatives designed were used for docking with the generated structure, among the 100 derivatives designed, fifth derivative showed highest docking result. The drug derivatives were docked to the protein by hydrogen bonding interactions and these interactions play an important role in the binding studies. Our investigations may be helpful for further studies.