Computational Biology Approach in Management of Big Data of Healthcare Sector

Abstract It is very much necessary to properly manage and screen the most optimal data, avoiding redundancy in the place of necessity. In this chapter, we are examining gene interaction of Alzheimer’s disease (AD) using a string database. Through molecular docking analysis, we studied binding energy, binding residue, bond name, and bond length of the interaction between the proteins that are most targeted with drugs for AD. In this chapter, we have tried to demonstrate some of the approaches that can be implemented for screening of genes and proteins related to a common human genetic disorder. Using virtual screening, we have collected a list of the most appropriate drugs for the targeted disorder. Finally, we studied the interaction between drugs and each protein, which was carried out using the molecular docking process. We found the TYR 134 is involved in a conventional hydrogen bond in GSK3B and an alstertaullone interaction. Both ILE62 and ASP200 are involved in a π-sigma and π-anion bond, respectively. Between GSK3B and I-5, LYS 85 and ARG141 residue are involved in a hydrogen bond. The residue TYR 134 is involved in a π-π stacking bond.