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Biotechnology Letters

, Volume 41, Issue 12, pp 1391–1401 | Cite as

Selection of potential anti-adhesion drugs by in silico approaches targeted to ALS3 from Candida albicans

  • Erika Seki Kioshima
  • Cristiane Suemi Shinobu-Mesquita
  • Ana Karina Rodrigues Abadio
  • Maria Sueli Soares Felipe
  • Terezinha Inez Estivalet SvidzinskiEmail author
  • Bernard Maigret
Original Research Paper
  • 47 Downloads

Abstract

Objective

To select potential ligands of ALS3 for drug development with anti-adhesion and/or anti-biofilm activities.

Methodology

ALS3 model was considered stable by DM. The main features of protein flexibility were represented by two conformers which were used in the virtual screening. Twenty-four small molecules were selected for in vitro assays. Five of them presented the best biological activity with ability to inhibit the adhesion and C. albicans biofilm formation on abiotic surface.

Results

To select potential ligands of ALS3 for drug development with anti-adhesion and/or anti-biofilm activities.

Conclusion

In silico tools application was able to select promising compounds with anti-adhesion activity, opening a new perspective of medical device treatment.

Keywords

ALS3 protein Biofilm In silico approaches Candida albicans 

Notes

Supporting information

Supplementary Fig. 1

Funding

This study was supported by Conselho Nacional de Desenvolvimento Científico e Tecnológico [Grant: 236764/2012-8] and Coordenação de Aperfeiçoamento de Pessoal de Nível Superior, according to CNPq/casadinho/PROCAD [Grant: 552276/2011-1].

Compliance with ethical standards

Conflicts of interest

The authors have no other relevant affiliations or financial involvement with any organization or entity with a financial interest in or financial conflict with the subject matter or materials discussed in the manuscript apart from those disclosed.

Supplementary material

10529_2019_2747_MOESM1_ESM.docx (831 kb)
Supplementary file1 (DOCX 830 kb)

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Copyright information

© Springer Nature B.V. 2019

Authors and Affiliations

  • Erika Seki Kioshima
    • 1
  • Cristiane Suemi Shinobu-Mesquita
    • 1
  • Ana Karina Rodrigues Abadio
    • 2
  • Maria Sueli Soares Felipe
    • 3
  • Terezinha Inez Estivalet Svidzinski
    • 1
    • 5
    Email author
  • Bernard Maigret
    • 4
  1. 1.Departamento Análises Clínicas e BiomedicinaUniversidade Estadual de MaringáMaringáBrazil
  2. 2.Faculdade de Ciências Sociais Aplicadas e AgráriasUniversidade Do Estado de Mato Grosso - Campus de Nova MutumNova MutumBrazil
  3. 3.Laboratório Biologia Molecular, Departamento de Biologia Celular, Instituto de Ciências BiológicasUniversidade de BrasíliaBrasíliaBrazil
  4. 4.LORIALorraine UniversityNancyFrance
  5. 5.Laboratório de Ensino e Pesquisa em Análises Clínicas, Departamento de Análises ClínicasUniversidade Estadual de MaringáMaringáBrazil

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