دورية أكاديمية
Antifungal activity of etomidate against growing biofilms of fluconazole-resistant Candida spp. strains, binding to mannoproteins and molecular docking with the ALS3 protein.
| العنوان: | Antifungal activity of etomidate against growing biofilms of fluconazole-resistant Candida spp. strains, binding to mannoproteins and molecular docking with the ALS3 protein. |
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| المؤلفون: | Gurgel do Amaral Valente Sá L; Drug Research and Development Center, Federal University of Ceará, Fortaleza, 60430-275, CE, Brazil.; Department of Clinical and Toxicological Analysis, School of Pharmacy, Laboratory of Bioprospection in Antimicrobial Molecules (LABIMAN), Federal University of Ceará, Fortaleza, 60430-170, CE, Brazil., da Silva CR; Drug Research and Development Center, Federal University of Ceará, Fortaleza, 60430-275, CE, Brazil.; Department of Clinical and Toxicological Analysis, School of Pharmacy, Laboratory of Bioprospection in Antimicrobial Molecules (LABIMAN), Federal University of Ceará, Fortaleza, 60430-170, CE, Brazil., Neto JBA; Drug Research and Development Center, Federal University of Ceará, Fortaleza, 60430-275, CE, Brazil.; Department of Clinical and Toxicological Analysis, School of Pharmacy, Laboratory of Bioprospection in Antimicrobial Molecules (LABIMAN), Federal University of Ceará, Fortaleza, 60430-170, CE, Brazil., do Nascimento FBSA; Drug Research and Development Center, Federal University of Ceará, Fortaleza, 60430-275, CE, Brazil.; Department of Clinical and Toxicological Analysis, School of Pharmacy, Laboratory of Bioprospection in Antimicrobial Molecules (LABIMAN), Federal University of Ceará, Fortaleza, 60430-170, CE, Brazil., Barroso FDD; Drug Research and Development Center, Federal University of Ceará, Fortaleza, 60430-275, CE, Brazil.; Department of Clinical and Toxicological Analysis, School of Pharmacy, Laboratory of Bioprospection in Antimicrobial Molecules (LABIMAN), Federal University of Ceará, Fortaleza, 60430-170, CE, Brazil., da Silva LJ; Drug Research and Development Center, Federal University of Ceará, Fortaleza, 60430-275, CE, Brazil.; Department of Clinical and Toxicological Analysis, School of Pharmacy, Laboratory of Bioprospection in Antimicrobial Molecules (LABIMAN), Federal University of Ceará, Fortaleza, 60430-170, CE, Brazil., Cabral VPF; Drug Research and Development Center, Federal University of Ceará, Fortaleza, 60430-275, CE, Brazil.; Department of Clinical and Toxicological Analysis, School of Pharmacy, Laboratory of Bioprospection in Antimicrobial Molecules (LABIMAN), Federal University of Ceará, Fortaleza, 60430-170, CE, Brazil., Barbosa AD; Drug Research and Development Center, Federal University of Ceará, Fortaleza, 60430-275, CE, Brazil.; Department of Clinical and Toxicological Analysis, School of Pharmacy, Laboratory of Bioprospection in Antimicrobial Molecules (LABIMAN), Federal University of Ceará, Fortaleza, 60430-170, CE, Brazil., Silva J; Department of Chemistry, Group of Theoretical Chemistry and Electrochemistry (GQTE), State University of Ceará, Limoeiro do Norte, 62930-000, CE, Brazil., Marinho ES; Department of Chemistry, Group of Theoretical Chemistry and Electrochemistry (GQTE), State University of Ceará, Limoeiro do Norte, 62930-000, CE, Brazil., de Moraes MO; Department of Physiology and Pharmacology, Neuropharmacology Laboratory, Federal University of Ceará, Fortaleza, 60430-275, CE, Brazil., Rios MEF; Drug Research and Development Center, Federal University of Ceará, Fortaleza, 60430-275, CE, Brazil., Cavalcanti BC; Drug Research and Development Center, Federal University of Ceará, Fortaleza, 60430-275, CE, Brazil., Lima ISP; Departament of Pharmacology, School of Medicine, Federal University of Ceará, Barbalha, 63048-080, CE, Brazil., Júnior HVN; Drug Research and Development Center, Federal University of Ceará, Fortaleza, 60430-275, CE, Brazil. |
| المصدر: | Journal of medical microbiology [J Med Microbiol] 2020 Oct; Vol. 69 (10), pp. 1221-1227. Date of Electronic Publication: 2020 Sep 04. |
| نوع المنشور: | Journal Article |
| اللغة: | English |
| بيانات الدورية: | Publisher: Microbiology Society Country of Publication: England NLM ID: 0224131 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1473-5644 (Electronic) Linking ISSN: 00222615 NLM ISO Abbreviation: J Med Microbiol Subsets: MEDLINE |
| أسماء مطبوعة: | Publication: 2015- : London : Microbiology Society Original Publication: 1968-1995: Edinburgh, Livingstone. |
| مواضيع طبية MeSH: | Candida/*drug effects , Drug Resistance, Fungal/*drug effects , Etomidate/*pharmacology, Antifungal Agents/metabolism ; Antifungal Agents/pharmacology ; Biofilms/drug effects ; Candida albicans/drug effects ; Etomidate/metabolism ; Fluconazole/pharmacology ; Fungal Proteins/metabolism ; Humans ; Membrane Glycoproteins/metabolism ; Microbial Sensitivity Tests ; Molecular Docking Simulation/methods |
| مستخلص: | This study evaluated the effect of etomidate against biofilms of Candida spp. and analysed through molecular docking the interaction of this drug with ALS3, an important protein for fungal adhesion. Three fluconazole-resistant fungi were used: Candida albicans , Candida parapsilosis and Candida tropicalis . Growing biofilms were exposed to etomidate at 31.25-500 µg ml -1 . Then, an ALS3 adhesive protein from C. albicans was analysed through a molecular mapping technique, composed of a sequence of algorithms to perform molecular mapping simulation based on classic force field theory. Etomidate showed antifungal activity against growing biofilms of resistant C. albicans, C. parapsilosis and C. tropicalis at all concentrations used in the study. The etomidate coupling analysis revealed three interactions with the residues of interest compared to hepta-threonine, which remained at the ALS3 site. In addition, etomidate decreased the expression of mannoproteins on the surface of C. albicans . These results revealed that etomidate inhibited the growth of biofilms. |
| فهرسة مساهمة: | Keywords: ALS3; Candida spp.; antifungal activity; biofilm; etomidate; molecular docking |
| المشرفين على المادة: | 0 (ALS3 protein, Candida albicans) 0 (Antifungal Agents) 0 (Fungal Proteins) 0 (Membrane Glycoproteins) 0 (mannoproteins) 8VZV102JFY (Fluconazole) Z22628B598 (Etomidate) |
| تواريخ الأحداث: | Date Created: 20200907 Date Completed: 20201105 Latest Revision: 20201105 |
| رمز التحديث: | 20221213 |
| DOI: | 10.1099/jmm.0.001241 |
| PMID: | 32894212 |
| قاعدة البيانات: | MEDLINE |
| تدمد: | 1473-5644 |
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| DOI: | 10.1099/jmm.0.001241 |