DRUG DESIGNING AND DOCKING STUDIES OF BREAST CANCER TYPE1 SUSCEPTIBILITY PROTEIN (BRCA1) INVOLVED IN BREAST CANCER
|E.Maruthi Prasad1., Abdelrahman Shamseldin Ibrahim2., K.Lakshmi Devi1., Mushtaq Ahmed3., Jayasimha Rayalu Daddam4*
|Corresponding Author: Jayasimha Rayalu Daddam, E-mail: [email protected]|
|Received: 24 February 2014 Accepted: 06 March 2014|
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Cancer is a disease that begins in the cells of the body which is characterized by uncontrolled, uncoordinated and undesirable cell division. If a cell accumulates critical mutations in five or six of the protooncogenes, tumour suppressor genes and DNA repair genes are likely to result in a fully malignant cell, capable of forming a tumour. In this work we identified the inhibitors using three dimensional structures for Breast cancer susceptibility protein1 (BRCA1) crystal structure using GOLD software. After collecting 3D structure, structure validation studies was performed, and the generated model was reliable. Active site of BRCA1 was identified using CASTp server and these active residues are used to find better inhibitor. New drug derivatives of Podophyllotoxin and Fosbretabulin were designed using Chemsketch software and these were docked to the BRCA1 active residues in order to find better inhibitor. From the docking results the best inhibitors were identified and it can be used for further studies.