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A Computational–Experimental Investigation of the Molecular Mechanism of Interleukin-6-Piperine Interaction
; ; ; Cornélio, Marinônio Lopes
(International Journal of Molecular Sciences, 2022) [Artigo]
Herein, we elucidate the biophysical aspects of the interaction of an important protein, Interleukin-6 (IL6), which is involved in cytokine storm syndrome, with a natural product with anti-inflammatory activity, piperine. ... -
Biophysical studies of the interaction of hRSV Non-Structural 1 protein with natural flavonoids and their acetylated derivatives by spectroscopic techniques and computational simulations
Ottenio de Lourenço, Isabella; Toscano Pedroso Quintino, Evelyn ; Henrique Pereira, Matheus ; Sprengel Lima, Caroline ; Campos Araújo, Gabriela ; Octávio Regasini, Luis ; Alves de Melo, Fernando ; Pereira de Souza, Fátima ; Andres Fossey, Marcelo ; Putinhon Caruso, Ícaro (Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 2022) [Artigo]
Human respiratory syncytial virus (hRSV) infections are one of the most causes of acute lower respiratory tract infections in children and elderly. The development of effective antiviral therapies or preventive vaccines ... -
Aqueous mixtures of cornstarch and Pluronic® F127 studied by experimental and computational techniques
Baldassa, Monize A.B.; Dias, Raphael V.R. ; Oliveira, Leandro C. ; (Food Research International, 2022) [Artigo]
The possibility of interaction between cornstarch (CS) and amphiphilic molecules, such as the micelle-forming triblock copolymer Pluronic® F127 (F127), also known by Poloxamer 407, indicates that CS-F127 aqueous mixtures ... -
Riboflavin, a Potent Neuroprotective Vitamin: Focus on Flavivirus and Alphavirus Proteases
; ; ; ; ; Arni, Raghuvir K.; ; (Microorganisms, 2022) [Artigo]
Several neurotropic viruses are members of the flavivirus and alphavirus families. Infections caused by these viruses may cause long-term neurological sequelae in humans. The continuous emergence of infections caused by ... -
Deciphering the Path of S-nitrosation of Human Thioredoxin: Evidence of an Internal NO Transfer and Implication for the Cellular Responses to NO
; ; ; ; Caruso, Icaro P.; ; (Antioxidants, 2022) [Artigo]
Nitric oxide (NO) is a free radical with a signaling capacity. Its cellular functions are achieved mainly through S-nitrosation where thioredoxin (hTrx) is pivotal in the S-transnitrosation to specific cellular targets. ... -
Characterization of Secondary Structure and Thermal Stability by Biophysical Methods of the D-alanyl,D-alanine Ligase B Protein from Escherichia coli
; Caruso, Ícaro Putinhon; de Sá, Jéssica Maróstica ; ; ; ; ; ; (Protein and Peptide Letters, 2022) [Artigo]
Background: Peptidoglycan (PG) is a key structural component of the bacterial cell wall and interruption of its biosynthesis is a validated target for antimicrobials. Of the enzymes involved in PG biosynthesis, D-alanyl,D-alanine ... -
Design of D-Amino Acids SARS-CoV-2 Main Protease Inhibitors Using the Cationic Peptide from Rattlesnake Venom as a Scaffold
; ; ; ; ; ; ; ; ; Arni, Raghuvir K. et al. (Pharmaceuticals, 2022) [Artigo]
The C30 endopeptidase (3C-like protease; 3CLpro ) is essential for the life cycle of SARS-CoV-2 (severe acute respiratory syndrome-coronavirus-2) since it plays a pivotal role in viral replication and transcription and, ... -
Transcriptomics Applied to the Study of Chagas Disease Vectors
Borsatto, Kelly Cristine; ; ; Arni, Raghuvir Krishnaswamy ; Alevi, Kaio Cesar Chaboli (American Journal Of Tropical Medicine And Hygiene, 2022) [Resenha]
Chagas disease is a neglected disease caused by the protozoan Trypanosoma cruzi, and is transmitted mainly by the feces of contaminated triatomines. Knowledge of the biological, ecological, behavioral, genetic, taxonomic, ... -
Disturbing Lipid Phase Equilibrium in Model Membrane Induced by Lytic Peptides
Alvares, Dayane S.; Ruggiero Neto, João (Brazilian Journal of Physics, 2022) [Artigo]
Lytic peptides are rich in cationic and hydrophobic residues that form amphipathic α-helix when in contact with lipid bilayers. Evidence showed that they act on the lipidic phase of the cell membranes, inserting into the ... -
Small Neutral Crowding Solute Effects on Protein Folding Thermodynamic Stability and Kinetics
Contessoto, Vinícius G.; ; Chahine, Jorge ; Leite, Vitor B. P. ; (Journal of Physical Chemistry B, 2021) [Artigo]
Molecular crowding is a ubiquitous phenomenon in biological systems, with significant consequences on protein folding and stability. Small compounds, such as the osmolyte trimethylamineN-oxide (TMAO), can also present ... -
A protective vaccine against the toxic activities following Brown spider accidents based on recombinant mutated phospholipases D as antigens
; ; ; ; ; ; ; ; Minozzo, João Carlos; Mariutti, Ricardo Barros et al. (International Journal of Biological Macromolecules, 2021) [Artigo]
Accidents involving Brown spiders are reported throughout the world. In the venom, the major toxins involved in the deleterious effects are phospholipases D (PLDs). In this work, recombinant mutated phospholipases D from ... -
Potential curve for a Helium dimer confined by prolate spheroidal boxes
Batael, Hugo de Oliveira; Drigo Filho, Elso (European Physical Journal D, 2021) [Artigo]
Abstract: The potential curve for a confined He 2 dimer is computed using the variational method. The approach proposed here uses a trial function for the ground state composed of the Slater determinant with the orbitals ... -
Metallo-stannosilicates as inorganic supports to immobilization of lipase from Thermomyces lanuginosus for biodiesel production
Da Silva, Danilo Antonio; De Vasconcellos, Adriano ; Nery, José Geraldo (Ecletica Quimica, 2021) [Artigo]
This study reports the application of metallo-stannosilicates as potential inorganic solid matrixes for enzymes immobilization and their use as a heterogenous catalysts in enzymatic transesterification reactions for the ... -
Numerical determination of the order of phase transitions in Ising systems with multispin interactions
; Chahine, Jorge; (Physical Review B, 1991) [Artigo]
The method of the fourth-order cumulant of Challa, Landau, and Binder is used together with the Monte Carlo histogram technique of Ferrenberg and Swendsen to study the order of the phase transitions of two-dimensional Ising ... -
Water regulation of actinomycin-D binding to DNA: The interplay among drug affinity, DNA long-range conformation, and hydration
Neto, João Ruggiero; Colombo, Marcio Francisco (Biopolymers, 2000) [Artigo]
Actinomycin-D (actD) binds to natural DNA at two different classes of binding sites, weak and strong. The affinity for these sites is highly dependent on DNA sequence and solution conditions, and the interaction appears ... -
Supersymmetric Quantum Mechanics and Partially Solvable Potential
Drigo Filho, E.; Ricotta, R. M. (Physics of Atomic Nuclei, 1998) [Artigo]
Supersymmetric quantum mechanics can be used to obtain the spectrum and eigenstates of one-dimensional Hamiltonians. It is particularly useful when applied to partially solvable potentials because a superalgebra allows us ... -
Photoconductivity spectra of polymeric devices using poli(pphenylene vinylene) (PPV) derivatives as the active layer
(Proceedings - International Symposium on Electrets, 2008) [Trabalho apresentado em evento] -
Microscopical aspects of accessory air breathing through a modified stomach in the armoured catfish Liposarcus anisitsi (Siluriformes, Loricariidae)
(Cytobios, 2001) [Artigo]The presence of an accessory air breathing mechanism as verified by several authors, is widespread among Loricariidae, where modified parts of the digestive tract act primarily as oxygen-exchange organs. An anatomical and ... -
A Method for Detection of Water Permeation Events in Molecular Dynamics Simulations of Lipid Bilayers
Camilo, Carlos Roberto de Souza; Ruggiero, José Roberto ; de Araujo, Alexandre Suman (Brazilian Journal of Physics, 2022) [Artigo]
The cell membrane is one of the most important structures of life. Understanding its functioning is essential for several human knowledge areas, mainly how it controls the efflux of substances between the cytoplasm and the ... -
Intramolecular Interactions Enhance the Potency of Gallinamide A Analogues against Trypanosoma cruzi
; ; Hernandez-Alvarez, Lilian; ; ; ; ; ; ; (Journal of Medicinal Chemistry, 2022) [Artigo]
Gallinamide A, a metabolite of the marine cyanobacterium Schizothrix sp., selectively inhibits cathepsin L-like cysteine proteases. We evaluated the potency of gallinamide A and 23 synthetic analogues against intracellular ...