An in silico approach to design a potential drug for Haemophilia A

Abstract

Haemophilia A has been known as a disease since the late 20th century but still no cure has been developed for it. Temporary treatments include new factor replacement therapies delaying the frequency of blood transfusions. In this study, a new prospective drug molecule was designed in silico. Thirteen target proteins were identified from protein databases and their structures observed. Cavities in the protein were determined using Swiss PDB Viewer. Twelve ligands and its isomers were prepared through Molinspiration. Docking between the ligands and target proteins was performed using Molegro Virtual Docker. Docking studies analysed the MolDock and Hydrogen bond score. The most appropriate values were obtained with protein 1SDD and ligand 1. Therefore, Ligand 1 can be proceeded with more studies and developed into a potential drug for Haemophilia A.