Vol. 11, Issue 3, Part D (2025)

Abstract

Background: Rabies remains a critical public health challenge, particularly in developing countries where the burden of disease is exacerbated by inadequate vaccination of dogs, which are the primary transmitters of the virus. Despite the availability of human immunoglobulins and vaccines, these treatments are often inaccessible or unaffordable for those most at risk.

Objectives: This study aims to identify potential therapeutic options for combating the rabies virus by repurposing existing drugs.

Methods: Using advanced molecular docking simulations, 2,015 approved drugs were screened against two critical protein targets: polymerase and the Metabolite glutamate receptor subtype 2 using Autodock-vina. Protein targets of these drugs were determined using the Swiss target prediction server. The drugs' interactions with the target proteins were analysed using Discovery Studio Visualizer. Molecular dynamics was executed using Schrödinger LLC Desmond software.

Results: The study identified Warfarin and Suramin as promising frontrunner drugs based on their binding affinities and potential to inhibit the rabies virus. Additionally, other compounds like Methotrexate, Folic acid, Lumacaftor, Domperidone, Ketoconazole, Itraconazole, Finasteride, Dutasteride, Risperidone, and Bromocriptine showed significant potential and warrant further investigation.

Conclusion: The findings suggest that repurposing these drugs could provide an accessible and effective therapeutic option for rabies, especially in resource-limited settings where immediate and novel treatments are not available. Further in-vitro studies are recommended to validate the efficacy of these drugs against the rabies virus.