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Related Concept Videos

Genetic Screens02:46

Genetic Screens

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Genetic screens are tools used to identify genes and mutations responsible for phenotypes of interest. Genetic screens help identify individuals or a group of people at risk of developing  genetic diseases and help them with early intervention, targeted therapy, and reproductive options.
Forward genetic screens
Forward or “classical” genetic screens involve creating random mutations in an organism’s DNA using radiation, mutagens, or insertion of additional bases, which...
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Screening Traditional Chinese Medicine Compounds for Inhibiting UCHL3 Activity Based on Molecular Docking and Deubiquitinating Enzyme Probe Technology
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Identification of Small-Molecule Modulators of FOXO3 Through Virtual Screening.

Filoemena Nascimento1, Gonçalo Braga1, Paulo J Martel2

  • 1CINTESIS@RISE/Faculty of Sciences and Technology, University of the Algarve, Faro, Portugal.

Methods in Molecular Biology (Clifton, N.J.)
|November 20, 2024
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Researchers developed a virtual screening method to find small molecules that can control FOXO3 protein activity. This discovery could lead to new treatments for cancer and aging.

Keywords:
DockingDrug designFOXOSmall moleculeTranscription factorVirtual screening

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Area of Science:

  • Molecular Biology
  • Biochemistry
  • Pharmacology

Background:

  • The FOXO3 protein regulates key cellular functions including apoptosis, oxidative stress response, and cell growth, making it a target for cancer and aging research.
  • Modulating FOXO3 activity, particularly its DNA-binding capacity, is a promising therapeutic strategy.
  • Identifying small-molecule modulators is crucial for developing FOXO3-targeted therapies.

Purpose of the Study:

  • To establish a virtual screening protocol for identifying small molecules that modulate FOXO3 DNA-binding.
  • To pinpoint potential binding sites on FOXO3 that influence its interaction with DNA.

Main Methods:

  • Utilized crystal structures of FOXO3 in free and DNA-bound states.
  • Performed virtual screening of a small-molecule library using AutoDock Vina.
  • Analyzed top-ranking compounds to determine binding modes and potential interactions.

Main Results:

  • Identified potential binding sites on FOXO3 capable of modulating DNA interaction.
  • Successfully screened a compound library to find candidate FOXO3 modulators.
  • Detailed analysis of binding modes for selected high-ranking compounds.

Conclusions:

  • The developed virtual screening protocol is effective for discovering novel FOXO3 modulators.
  • This approach offers a pathway for developing new therapeutic agents for cancer and aging.
  • Further experimental validation of identified compounds is warranted.