Abstract

B-cell lymphoma 2-associated athanogene 3 protein is profoundly expressed in various cancer tissues, which can lead to proliferation, migration and invasion of cancer. The raw data for microarray data analysis was obtained from the dataset record GDS2918. The self-organizing map and k-means of the genesis led to the identification of two clusters containing B-cell lymphoma 2-associated athanogene 3 gene among others; cluster number 1 (consisting of 902 genes) from self-organizing map and cluster number 09 (consisting of 348 genes) from k-means. The post clustering tool, SimGene, of Easy M-A was exploited to establish 84 genes with similar expressions as that of B-cell lymphoma 2-associated athanogene 3. The neighbor-joining method in molecular evolutionary genetics analysis version 5 clearly establishes the evolutionary similarity in between B-cell lymphoma 2-associated athanogene 3 and Small glutamine rich tetratricopeptide repeat containing beta. The EasyModeller was utilized for homology modeling of B-cell lymphoma 2-associated athanogene 3 and Small glutamine rich tetratricopeptide repeat containing beta proteins. The protein data bank files were subjected to Procheck in structural analysis and verification server, which evaluates by Ramachandran plot. The selected models were further subjected to loop modeling and validation. Ligands were identified by using DrugBank and were docked against B-cell lymphoma 2-associated athanogene 3 and Small glutamine rich tetratricopeptide repeat containing beta using AutoDock tool. This led to the identification of two compounds, i.e., DB07503 and DB13715 with potential to modulate B-cell lymphoma 2-associated athanogene 3 and aid in the management of various cancers wherein B-cell lymphoma 2-associated athanogene 3 is profoundly overexpressed.