LAUSR.org creates dashboard-style pages of related content for over 1.5 million academic articles. Sign Up to like articles & get recommendations!

Predicting Protein-Ligand Binding Site for Drug Design Using Context Relevant Self Organizing Maps (CRSOM)

Photo from wikipedia

Research on binding sites has been done to find suitable ligands to treat a particular disease. The binding site is a pocket on the surface of the protein, which acts… Click to show full abstract

Research on binding sites has been done to find suitable ligands to treat a particular disease. The binding site is a pocket on the surface of the protein, which acts as a place to attach a ligand. In bioinformatics, searching for binding sites is applied to drug design problems. Currently, computer-aided drug design has been developed. In this study, the prediction of protein-ligand binding sites formulated as a binary classification, which is distinguish the location that has potential to binding the ligand and the location that has no potential to binding the ligand. The dataset that will be used in this research is taken from the RCSB Protein Data Bank of 14 proteins data. The classification method used in this research is Context Relevant Self Organizing Maps (CRSOM), where the CRSOM method gives higher accuracy results compared to Backpropagation and Deep Learning. Context Relevant Self Organizing Maps (CRSOM) is chosen as a supervised learning classification algorithm that has an optimal internal representation, where data belonging different classes are separated with wider margin, while data belonging to the same class are clustered closely to each other. Thus, CRSOM is able to visualize high-dimensional protein data into binding site and nonbinding site classes significantly. The results of the study obtained an average training accuracy of 99,60%, testing accuracy of 96.26%, and the average test time of 28.63 seconds, the result is better than the predecessor.

Keywords: binding site; drug design; context relevant; site; relevant self; ligand

Journal Title: International Journal of Intelligent Engineering and Systems
Year Published: 2020

Link to full text (if available)


Share on Social Media:                               Sign Up to like & get
recommendations!

Related content

More Information              News              Social Media              Video              Recommended



                Click one of the above tabs to view related content.