Identification and Classification of Small Molecule Binding Sites in the Breast Cancer Proteome

Abstract

We have performed the RNA-Seq data analysis on the dataset containing the tumor and normal breast samples and identified deregulated genes. Further, to find the structures of the protein products of these genes we searched the Protein Data Bank and then we scanned the surface of these protein structures and identified binding sites. We then classified the binding sites obtained into enzyme active sites, protein-protein interaction sites, or other sites that may lie outside of functional sites on the basis of their surface characteristics and on the basis of the information collected from various databases like CSA, UniProt and BRENDA. Our study focuses on the high throughput screening of breast cancer specific binding sites and their categorisation for possible evaluation to evaluate and pave an ease towards novel drug target ident ification which may prove to be clinically- relevant protein targets.