Computational Repurposing in Computer-Aided Drug Design Against Hantavirus Diseases: A Case Study

Hantaviruse emerging as a potent zoonotic genus transmitted through rodents, a significant global public health threat, amplifying epidemics with heightened mortality rates. Despite the urgency for effective interventions, the absence of a secure vaccine or antiviral drug against hantavirus disease intensifies the challenge. This study aims to create a strong strategy for computer-aided drug design by utilizing modern computational methodologies. Among the goals include finding critical viral targets, optimizing therapeutic candidates through design, virtual screening of compound libraries, molecular docking simulations, and in silico pharmacokinetics. Computational approaches are chosen for their speed in screening and optimizing new drug candidates, hence speeding up the drug development process. The significance of the study lies in its potential to accelerate the development of treatments for Hantavirus disorders by incorporating computational tools for drug identification and design, offering valuable insights for further experimental validation and clinical outcomes. The goal of this study is to address the critical need for novel techniques to battle the rising global threat of Hantavirus illnesses.