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September 21, 2025The International Journal of Maritime Engineering

Marine Natural Products as Potential Inhibitors of NS2b/NS3-Protease of Dengue Virus: An In-Silico Approach

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Authors

RSR. H. ShawUniversity of OxfordBPBharti PathakJamia HamdardVMV MittalChandigarh University

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Overview

In-silico analysis identifies marine natural products that effectively inhibit NS2b/NS3-protease of dengue virus, suggesting therapeutic potential.

Key Points

  • Novel compounds CMNPD28799 and CMNPD28841 show strong binding affinities to NS2b/NS3-protease, indicating effective inhibition.
  • Marine-derived compounds demonstrated promising pharmacokinetic profiles with favorable permeability in mammalian organs.
  • In-silico approaches employed molecular docking and MMGBSA to evaluate compound interactions with the protease active site.
  • Analysis revealed minimal predicted toxicity for the most promising compounds, facilitating their potential therapeutic use.

Cite This Study

Shaw et al. (2025) studied this question.

synapsesocial.com/papers/68d46abb31b076d99fa6808chttps://doi.org/10.5750/ijme.v167ia3(s).1693
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