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Updated: Sep 13, 2025
High-throughput Screening for Broad-spectrum Chemical Inhibitors of RNA Viruses
Published on: May 5, 2014
Rationally Designed Functionalized Phytochemical-Conjugated Fullerene Quantum Dots Inhibiting Viral Chaperone
Giridharan Loghanathan Malarvizhi1, Jagadeesh Bayry1
1Department of Biological Sciences and Engineering, Indian Institute of Technology Palakkad, Palakkad, Kerala, India.
This study screened drugs to combat Nipah virus (NiV) by targeting its replication. Andrographolide and stigmasterol, when combined with fullerene nanoparticles, show promise for treating NiV infections.
Area of Science:
- Virology and Nanomedicine
- Drug Discovery and Development
Background:
- Nipah virus (NiV) infection presents a high mortality rate (40%-70%) with limited therapeutic options.
- Previous strategies targeting NiV entry or replication have shown modest efficacy.
Purpose of the Study:
- To identify safe and effective repurposable drugs for NiV treatment.
- To develop multifunctional antiviral nanomedicines by engineering potent drug candidates.
Main Methods:
- Utilized virtual screening, molecular docking, and molecular dynamics (MD) to identify and evaluate drug candidates.
- Employed quantitative structure-activity relationship (QSAR) and ADMET studies for drug-likeness and toxicity assessment.
- Developed nanomedicines by conjugating identified ligands (andrographolide, stigmasterol) with fullerene quantum dots.
Main Results:
- Andrographolide and stigmasterol demonstrated significant potential to inhibit NiV phosphoprotein (P) and nucleoprotein (N), respectively.
- Functionalized nanoconjugates exhibited enhanced binding affinities and potent inhibition of NiV RNA-dependent RNA polymerase (RdRp).
- MD simulations confirmed stable ligand-target interactions, and drug-likeness studies indicated favorable absorption and toxicity profiles.
Conclusions:
- Andrographolide, stigmasterol, and their fullerene nanoconjugates show promise as synergistic agents against NiV.
- This pioneering work supports further investigation into these nanomedicines for combating NiV infections.
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