دورية أكاديمية
أعرض في EDS

Computational approach, scanning electron and fluorescence microscopies revealed insights into the action mechanisms of anticandidal peptide Mo-CBP 3 -PepIII.

التفاصيل البيبلوغرافية
العنوان: Computational approach, scanning electron and fluorescence microscopies revealed insights into the action mechanisms of anticandidal peptide Mo-CBP 3 -PepIII.
المؤلفون: Amaral JL; Department of Biochemistry and Molecular Biology, Federal University of Ceará, Fortaleza, Ceará CEP 60.440-554, Brazil; Department of Physics, Federal University of Ceará, Fortaleza, Ceará CEP 60.440-554, Brazil. Electronic address: jacksoncesarc@gmail.com., Souza PFN; Department of Biochemistry and Molecular Biology, Federal University of Ceará, Fortaleza, Ceará CEP 60.440-554, Brazil., Oliveira JTA; Department of Biochemistry and Molecular Biology, Federal University of Ceará, Fortaleza, Ceará CEP 60.440-554, Brazil., Freire VN; Department of Physics, Federal University of Ceará, Fortaleza, Ceará CEP 60.440-554, Brazil., Sousa DOB; Department of Biochemistry and Molecular Biology, Federal University of Ceará, Fortaleza, Ceará CEP 60.440-554, Brazil. Electronic address: daniele.sousa@ufc.br.
المصدر: Life sciences [Life Sci] 2021 Sep 15; Vol. 281, pp. 119775. Date of Electronic Publication: 2021 Jun 26.
نوع المنشور: Journal Article
اللغة: English
بيانات الدورية: Publisher: Elsevier Country of Publication: Netherlands NLM ID: 0375521 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1879-0631 (Electronic) Linking ISSN: 00243205 NLM ISO Abbreviation: Life Sci Subsets: MEDLINE
أسماء مطبوعة: Publication: <2008->: Amsterdam : Elsevier
Original Publication: Oxford; Elmsford, N. Y. [etc.] Pergamon Press.
مواضيع طبية MeSH: Computational Biology*, Antifungal Agents/*pharmacology , Candida albicans/*drug effects , Microscopy, Electron, Scanning/*methods , Microscopy, Fluorescence/*methods , Peptides/*pharmacology, Molecular Docking Simulation ; Reactive Oxygen Species/metabolism
مستخلص: Aims: The Candida genus is composed of opportunistic pathogens that threaten public health. Given the increase in resistance to current drugs, it is necessary to develop new drugs to treat infections by these pathogens. Antimicrobial peptides are promising alternative molecules with low cost, broad action spectrum and low resistance induction. This study aimed to clarify the action mechanisms of synthetic peptides against Candida albicans.
Main Methods: The mode of action of the anticandidal peptides Mo-CBP 3 -PepIII were analyzed through molecular dynamics and quantum biochemistry methods against Exo-β-1,3-glucanase (EXG), vital to cell wall metabolism. Furthermore, scanning electron (SEM) and fluorescence (FM) microscopies were employed to corroborate the in silico data.
Key Findings: Mo-CBP 3 -PepIII strongly interacted with EXG (-122.2 kcal mol -1 ) at the active site, higher than the commercial inhibitor pepstatin. Also, molecular dynamics revealed the insertion of Mo-CBP 3 -PepIII into the yeast membrane. SEM analyses revealed that Mo-CBP 3 -PepIII induced cracks and scars of the cell wall and FM analyses confirmed the pore formation on the Candida membrane.
Significance: Mo-CBP 3 -PepIII has strong potential as a new drug with a broad spectrum of action, given its different mode of action compared to conventional drugs.
(Copyright © 2021. Published by Elsevier Inc.)
فهرسة مساهمة: Keywords: Membrane insertion; Mo-CBP(3)-PepIII; Molecular dynamics; Quantum biochemistry
المشرفين على المادة: 0 (Antifungal Agents)
0 (Peptides)
0 (Reactive Oxygen Species)
تواريخ الأحداث: Date Created: 20210629 Date Completed: 20210810 Latest Revision: 20210810
رمز التحديث: 20221213
DOI: 10.1016/j.lfs.2021.119775
PMID: 34186044
قاعدة البيانات: MEDLINE
الوصف
تدمد:1879-0631
DOI:10.1016/j.lfs.2021.119775