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Paritaprevir (S5404) evaluation as an effective therapeutic candidate against Japanese Encephalitis virus

Year: 2025

Type: article

Abstract: 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.

Source: Journal of Integrated Science and Technology

DOI: 10.62110/sciencein.jist.2025.v13.1159

Authors: Pardeep Yadav, Aakhya Chauhan, Km. Reetu Saini, Sunil Kumar Jaiswal, Shanuja Beri, Saurabh Kumar Jha

Institutions: Sharda University, Uttaranchal University, Galgotias University, University of Delhi

Language: English

Topic: Computational Drug Discovery Methods

Subfield: Computational Theory and Mathematics

Field: Computer Science

Domain: Physical Sciences

SDG: Good health and well-being

Open Access status: diamond

OpenAlex ID: W4413301001

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