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September 10, 2025Y HOC TP HO CHI MINH

Discovery of potent inhibitors of NS4B protein of dengue virus type 2 from natural compounds: An in silico approach

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Authors

PPPhat Nguyen PhamQLQuynh‐Thu LeAmerican College of RadiologyPNPhuong Thuy Viet NguyenHo Chi Minh City Medicine and Pharmacy University

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Overview

This in silico approach identifies potential natural inhibitors of NS4B protein in DENV2, suggesting effective therapeutic options.

Key Points

  • D155 and D170 acted as potent inhibitors of NS4B protein, presenting a promising route for dengue treatment.
  • Binding affinity for both compounds measured below -20 kcal/mol, indicating strong potential interactions with DENV2 NS4B.
  • Molecular docking simulations showed stable interactions of these compounds with the NS4B protein over 200 ns.
  • Natural compounds from Valeriana hardwickii and Glinus oppositifolius provide a new avenue for dengue drug discovery.

Cite This Study

Pham et al. (2025) studied this question.

synapsesocial.com/papers/68c1bb5b54b1d3bfb60ecf52https://doi.org/10.32895/mpr.24.00072
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