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Evaluation of the influence of fluoroquinolone chemical structure on stability: forced degradation and in silico studies 60
Bairros,André Valle de; Pereira,Danillo Baptista; Cordeiro,Everson Willian Fialho; Paim,Clésio Soldateli; Silva,Fabiana Ernestina Barcellos da; Malesuik,Marcelo Donadel; Paula,Fávero Reisdorfer.
ABSTRACT Fluoroquinolones are a known antibacterial class commonly used around the world. These compounds present relative stability and they may show some adverse effects according their distinct chemical structures. The chemical hydrolysis of five fluoroquinolones was studied using alkaline and photolytic degradation aiming to observe the differences in molecular reactivity. DFT/B3LYP-6.31G* was used to assist with understanding the chemical structure degradation. Gemifloxacin underwent degradation in alkaline medium. Gemifloxacin and danofloxacin showed more degradation perceptual indices in comparison with ciprofloxacin, enrofloxacin and norfloxacin in photolytic conditions. Some structural features were observed which may influence degradation, such...
Tipo: Info:eu-repo/semantics/article Palavras-chave: Fluoroquinolones/evaluation; Forced degradation studies; Molecular modeling.
Ano: 2018 URL: http://www.scielo.br/scielo.php?script=sci_arttext&pid=S1984-82502018000100604
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High-level soluble expression of the functional peptide derived from the C-terminal domain of the sea cucumber lysozyme and analysis of its antimicrobial activity 69
Cong,Lina; Liang,Wenjing; Wu,Yao; Li,Cheng; Chang,Yihai; Dong,Liang; Song,Wanlin; Ma,Jun.
Background The sea cucumber lysozyme belongs to the family of invertebrate lysozymes and is thought to be a key defense factor in protecting aquaculture animals against bacterial infection. Recently, evidence was found that the sea cucumber lysozyme exerts broad spectrum antimicrobial action in vitro against Gram-negative and Gram-positive bacteria, and it also has more potent antimicrobial activity independent of its enzymatic activity. To explore the antimicrobial role of this non-enzymatic lysozyme and model its structure to novel antimicrobial peptides, the peptide from the C-terminal amino acid residues 70-146 of the sea cucumber lysozyme in Stichopus japonicus (SjLys-C) was heterologously expressed in Escherichia coli Rosetta(DE3)pLysS. Results The...
Tipo: Journal article Palavras-chave: Affinity purification; Lysozyme peptide; Molecular modeling; Recombinant protein.
Ano: 2014 URL: http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-34582014000600005
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Modeling and analysis of soybean (Glycine max. L) Cu/Zn, Mn and Fe superoxide dismutases 74
Ramana Gopavajhula,V.; Viswanatha Chaitanya,K.; Akbar Ali Khan,P.; Shaik,Jilani P.; Narasimha Reddy,P.; Alanazi,Mohammad.
Superoxide dismutase (SOD, EC 1.15.1.1) is an important metal-containing antioxidant enzyme that provides the first line of defense against toxic superoxide radicals by catalyzing their dismutation to oxygen and hydrogen peroxide. SOD is classified into four metalloprotein isoforms, namely, Cu/Zn SOD, Mn SOD, Ni SOD and Fe SOD. The structural models of soybean SOD isoforms have not yet been solved. In this study, we describe structural models for soybean Cu/Zn SOD, Mn SOD and Fe SOD and provide insights into the molecular function of this metal-binding enzyme in improving tolerance to oxidative stress in plants.
Tipo: Info:eu-repo/semantics/article Palavras-chave: Amino acid analysis; Model evaluation; Molecular modeling; Phylogenetic analysis; Superoxide dismutase (SOD).
Ano: 2013 URL: http://www.scielo.br/scielo.php?script=sci_arttext&pid=S1415-47572013000200013
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Molecular docking of Anopheles gambiae and Aedes aegypti glutathione S-transferases epsilon 2 (GSTE2) against usnic acid: an evidence of glutathione conjugation 52
Maia,Rafael Trindade; Nadvorny,Daniela.
The aim of this study was to develop a theoretical model using Anopheles gambiae GSTE2 structure as template for Aedes aegypti GSTE2 by homology modeling Docking simulations were performed for both the enzymes against usnic acid in neutral and anionic forms. Ramachandran plot revealed that 93.9% of the GSTE2 model residues were located on most favored regions. Model evaluation was made by the ANOLEA and GROMOS analysis. Docking results indicated that the enzymes were able to form glutathione-conjugate with usnic acid in both the forms (anionic and neutral).
Tipo: Info:eu-repo/semantics/article Palavras-chave: Anopheles gambiae; Aedes aegypti; Molecular modeling; Insecticide resistance.
Ano: 2014 URL: http://www.scielo.br/scielo.php?script=sci_arttext&pid=S1516-89132014000500689
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