Mining of small interacting ligands with cytoplasmic polyadenylation element-binding protein 4

Abstract

Cytoplasmic polyadenylation element-binding protein 4 (CPEB 4) is a family member of CPEB proteins that are involved in regulating posttranscriptional expression of mRNAs. These proteins act by binding to cytoplasmic polyadenylation element of genes at their untranslated region with the conservation site of UUUUUAU. CPEB 4 proteins are responsible for modulating gene expression by the process of translational activation or repression by polyadenylation event. Overexpression of CPEB 4 gene has been reported in several classes of cancer such as gastric cancer, neuronal cancer, and pancreatic cancer. CPEB 4 sometimes acts like oncogene and can cause different types of cancer. CPEB 4 protein has been studied in detail in the current research. CPEB 4 protein structure was retrieved from the PDB database with PDB ID: 5DIF and total of 25 ligands were selected through a literature survey, chemical databases, etc., to perform molecular interaction study, docking method was used. Glide docking was done using Schrodinger software, and results were analyzed. Result shows that 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromen-4-one (PubChem ID: 5281670) ligand has stable interaction with a Glide score of −8.26 and shows bonds with CPEB 4 protein at positions Lys(A: 924), Gly(B: 791), Asn(A: 879), and Thr(A: 878). These findings can help in modeling suitable ligands against the CPEB 4 protein responsible for several types of cancers.