ArticleDrug design, development and therapy2026
Identification of a Quinolone-Based Scaffold as a Dual SARS-COV-2 PLᵖʳᵒ and Mᵖʳᵒ Inhibitor: An Integrated Molecular Modeling and In-vitro Evaluation Approach.
Article in Drug design, development and therapy, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
Introduction: The papain-like protease (PLᵖʳᵒ) plays a critical role in the SARS-CoV-2 life cycle by regulating both viral replication and immune evasion, making it an attractive target for antiviral drug development. Methods: In this study, a virtual screening strategy combining pharmacophore modeling, molecular docking, enzymatic evaluation, and molecular dynamics (MD) simulations was employed to identify novel PLᵖʳᵒ inhibitors. From this process, 30 top ranked candidates were selected for experimental enzymatic evaluation. Results: Among them, a quinolone-based scaffold compound ST50940260 demonstrated the highest inhibitory activity with an IC Conclusion: Overall, these findings highlight ST50940260 as a promising lead candidate for further optimization, with potential dual inhibitory activity against both proteases.
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