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

Authors
  • Kioshima, Erika Seki1
  • Shinobu-Mesquita, Cristiane Suemi1
  • Abadio, Ana Karina Rodrigues2
  • Felipe, Maria Sueli Soares3
  • Svidzinski, Terezinha Inez Estivalet4, 5
  • Maigret, Bernard6
  • 1 Departamento Análises Clínicas e Biomedicina, Universidade Estadual de Maringá, Av. Colombo n° 5790, Bloco T20, Maringá, PR, CEP 87020-900, Brazil. , (Brazil)
  • 2 Faculdade de Ciências Sociais Aplicadas e Agrárias, Universidade Do Estado de Mato Grosso - Campus de Nova Mutum, Av. das Arapongas, 1384 N, Nova Mutum, MT, CEP 78450-000, Brazil. , (Brazil)
  • 3 Laboratório Biologia Molecular, Departamento de Biologia Celular, Instituto de Ciências Biológicas, Universidade de Brasília, Campus Darcy Ribeiro, Bloco K, 2 Pavimento, Brasília, DF, CEP 70910-900, Brazil. , (Brazil)
  • 4 Departamento Análises Clínicas e Biomedicina, Universidade Estadual de Maringá, Av. Colombo n° 5790, Bloco T20, Maringá, PR, CEP 87020-900, Brazil. [email protected] , (Brazil)
  • 5 Laboratório de Ensino e Pesquisa em Análises Clínicas, Departamento de Análises Clínicas, Universidade Estadual de Maringá, Av. Colombo 5790, Maringá, PR, 87020-900, Brazil. [email protected] , (Brazil)
  • 6 LORIA, Lorraine University, Campus Scientifique, BP 239, 54506, Nancy, France. , (France)
Type
Published Article
Journal
Biotechnology Letters
Publisher
Springer-Verlag
Publication Date
Dec 01, 2019
Volume
41
Issue
12
Pages
1391–1401
Identifiers
DOI: 10.1007/s10529-019-02747-6
PMID: 31659577
Source
Medline
Keywords
Language
English
License
Unknown

Abstract

To select potential ligands of ALS3 for drug development with anti-adhesion and/or anti-biofilm activities. 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. To select potential ligands of ALS3 for drug development with anti-adhesion and/or anti-biofilm activities. In silico tools application was able to select promising compounds with anti-adhesion activity, opening a new perspective of medical device treatment.

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