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Related Experiment Video

Updated: Jul 9, 2026

Biosensor-based High Throughput Biopanning and Bioinformatics Analysis Strategy for the Global Validation of Drug-protein Interactions
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Biosensor-based High Throughput Biopanning and Bioinformatics Analysis Strategy for the Global Validation of Drug-protein Interactions

Published on: December 1, 2020

Drug Repurposing Against Cestode Fatty Acid Binding Proteins Through Integrated Virtual Screening and In Vitro

Santiago Rodríguez1,2, Lucas N Alberca1, Luciana Gavernet1

  • 1Laboratorio de Investigación y Desarrollo de Bioactivos (LIDeB), Facultad de Ciencias Exactas, Universidad Nacional de La Plata (UNLP), La Plata, Argentina.

Chemmedchem
|July 7, 2026
PubMed
Summary

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Programming the Optoelectronic Properties of Atomically Precise Gold Nanoclusters Using the Conformational Landscape of Intrinsically Disordered Proteins.

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Researchers identified potential new treatments for echinococcosis, a neglected tropical disease. Hydrochlorothiazide was found to bind to key proteins in Echinococcus parasites, offering a promising drug repurposing strategy.

Area of Science:

  • Parasitology
  • Drug Discovery
  • Biochemistry

Background:

  • Echinococcosis is a neglected tropical disease (NTD) caused by Echinococcus species.
  • Cestodes require host lipids due to deficient metabolic pathways.
  • Fatty-acid binding proteins (FABPs) are crucial for lipid acquisition and are potential therapeutic targets.

Purpose of the Study:

  • To identify novel fatty-acid binding protein (FABP) binders as potential therapeutic agents against Echinococcus spp.
  • To leverage integrated virtual screening and drug repurposing for NTD treatment discovery.

Main Methods:

  • An integrated virtual screening strategy combining ligand-based and structure-based approaches was employed.
  • Approximately 435,000 compounds were screened in silico.
Keywords:
drug discoverydrug repositioningdrug repurposingechinococcus sppfatty‐acid binding protein (FABP)medicinal chemistryneglected tropical diseasesvirtual screening

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Last Updated: Jul 9, 2026

Biosensor-based High Throughput Biopanning and Bioinformatics Analysis Strategy for the Global Validation of Drug-protein Interactions
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Published on: December 1, 2020

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Published on: February 28, 2025

  • Four prioritized compounds, including hydrochlorothiazide, were selected for experimental validation using fluorescence displacement assays.

    • Main Results:

    • The virtual screening identified prioritized in silico hits.
    • Hydrochlorothiazide demonstrated binding to three key cestode FABPs (EgFABP1, EmFABP1, and EmFABP3).
    • The experimental validation confirmed the predictive accuracy of the computational workflow.

    Conclusions:

    • Integrated in silico screening and drug repurposing are effective strategies for discovering new therapeutic candidates against Echinococcus spp.
    • Hydrochlorothiazide shows potential as a therapeutic agent for echinococcosis.
    • This approach validates the utility of targeting cestode FABPs for NTD treatment.