Journal of Integrated Science and Technology
Keywords: item categories
Drug repurposing offers an inexpensive and time- saving approach to fast-track therapeutic development by leveraging the established safety and efficacy profiles of FDA-approved drugs. This study evaluates the potential of S5404_Paritaprevir as a repurposed antiviral agent targeting the RNA-dependent RNA polymerase (RdRp) and NS2B/NS3 protease complex of Japanese Encephalitis Virus (JEV). Computational analyses revealed strong binding affinity and molecular interactions, including hydrogen bonding, hydrophobic, polar, and electrostatic interactions. Molecular dynamics simulations established exceptional stability with favorable RMSD and RMSF values. Compared to de novo drug development, this approach provides a streamlined pathway for addressing urgent medical needs. Further investigations in vitro and in vivo are suggested to validate the therapeutic potential of S5404_Paritaprevir against JEV.
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