Pedro Alexandrino Fernandes
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View article: Mechanistic Insights into NOBA Hydrolysis by Viper Venom Secreted Phospholipase A2
Mechanistic Insights into NOBA Hydrolysis by Viper Venom Secreted Phospholipase A2 Open
View article: PERFIL EPIDEMIOLÓGICO DOS ÓBITOS POR DEFEITOS DA COAGULAÇÃO, PÚRPURA E OUTRAS AFECÇÕES HEMORRÁGICAS EM PACIENTES COM DOENÇAS DO FÍGADO NO BRASIL DE 2014 A 2023
PERFIL EPIDEMIOLÓGICO DOS ÓBITOS POR DEFEITOS DA COAGULAÇÃO, PÚRPURA E OUTRAS AFECÇÕES HEMORRÁGICAS EM PACIENTES COM DOENÇAS DO FÍGADO NO BRASIL DE 2014 A 2023 Open
View article: Molecular dynamics of Lys49 PLA2-like toxins: Insights into solution and membrane-bound conformations
Molecular dynamics of Lys49 PLA2-like toxins: Insights into solution and membrane-bound conformations Open
Snakebite envenoming is a neglected tropical disease that causes death and disability. Lysine 49 phospholipase A2-like (Lys49 PLA2-like) proteins are abundant toxins in many viperid venoms and play a significant role …
View article: Unveiling the Power of Computational Tools in Chiral Liquid Chromatography
Unveiling the Power of Computational Tools in Chiral Liquid Chromatography Open
Chiral liquid chromatography (cLC) using chiral stationary phases (CSPs) has become a crucial technique for separating enantiomers. Understanding enantiomeric discrimination is essential for improving chromatographic conditions and elucida…
View article: Computations Meet Experiments to Advance the Enzymatic Depolymerization of Plastics One Atom at a Time
Computations Meet Experiments to Advance the Enzymatic Depolymerization of Plastics One Atom at a Time Open
Plastics are essential to modern life, yet poor disposal practices contribute to low recycling rates and environmental accumulation-biological degradation and by-product reuse offer a path to mitigate this global threat. This report highli…
View article: Biodiversity2Drugs—Renaissance of exploring nature‐derived peptides for GPCR ligand discovery
Biodiversity2Drugs—Renaissance of exploring nature‐derived peptides for GPCR ligand discovery Open
View article: Hanseníase neural primária: apresentação e progressão clínica, neurofisiológica e otológica
Hanseníase neural primária: apresentação e progressão clínica, neurofisiológica e otológica Open
A hanseníase neural primária (HNP) é uma forma clínica da hanseníase caracterizada pelo acometimento exclusivo dos nervos periféricos, sem lesões cutâneas aparentes, o que dificulta seu reconhecimento precoce. A ausência de sinais dermatol…
View article: On the Hydrolysis of the Urethane Bond Catalyzed by Pseudomonas sp. MIS38 Lipase: a QM/MM Mechanistic Insight
On the Hydrolysis of the Urethane Bond Catalyzed by Pseudomonas sp. MIS38 Lipase: a QM/MM Mechanistic Insight Open
Plastic accumulation has become a major global concern, due to the lack of efficient and environmentally friendly strategies to manage the end-of-life of these materials. Among the most used families of plastics is polyurethane (PU), value…
View article: Measuring catalytic mechanism similarity – a new approach to study enzyme function and evolution
Measuring catalytic mechanism similarity – a new approach to study enzyme function and evolution Open
Similarity measures for protein sequence, structure and enzyme reactions have been essential tools for translating an abundance of experimental data about enzymes into biological insights. Enzymes with similar sequence and structure, for e…
View article: Binding Affinity of Synthetic Cannabinoids to Human Serum Albumin: Site Characterization and Interaction Insights
Binding Affinity of Synthetic Cannabinoids to Human Serum Albumin: Site Characterization and Interaction Insights Open
Background/Objectives: High-performance affinity chromatography (HPAC) was used to investigate the binding affinity of a series of synthetic cannabinoids, a widely abused class of new psychoactive substances, to human serum albumin (HSA) a…
View article: Cold-Active Starch-Degrading Enzymes from a Cold and Alkaline Greenland Environment: Role of Ca2+ Ions and Conformational Dynamics in Psychrophilicity
Cold-Active Starch-Degrading Enzymes from a Cold and Alkaline Greenland Environment: Role of Ca2+ Ions and Conformational Dynamics in Psychrophilicity Open
Cold-active enzymes hold promise for energy-efficient processes. Amylases are widely used in household and industrial applications, but only a few are cold-active. Here we describe three novel secreted amylases, Rho13, Ika2 and I3C6, all f…
View article: Cold-Active Starch-Degrading Enzymes from a Cold and Alkaline Greenland Environment: Role of Ca<sup>2+</sup> Ions and Conformational Dynamics in Psychrophilicity
Cold-Active Starch-Degrading Enzymes from a Cold and Alkaline Greenland Environment: Role of Ca<sup>2+</sup> Ions and Conformational Dynamics in Psychrophilicity Open
Cold-active enzymes hold promise in energy-efficient processes. Amylases are widely used in household and industrial applications, but only a few are cold-active. Here we describe three novel secreted amylases Rho13, Ika2 and I3C6, all fro…
View article: Structure‐Guided Engineering of a Versatile Urethanase Improves Its Polyurethane Depolymerization Activity
Structure‐Guided Engineering of a Versatile Urethanase Improves Its Polyurethane Depolymerization Activity Open
Polyurethane (PUR), the fifth most prevalent synthetic polymer, substantially contributes to the global plastic waste problem. Biotechnology‐based recycling methods have recently emerged as innovative solutions to plastic waste disposal an…
View article: Transforming Computational Power into Environmental Solutions: HPC-driven Research on Urethanase-mediated Plastic Degradation
Transforming Computational Power into Environmental Solutions: HPC-driven Research on Urethanase-mediated Plastic Degradation Open
View article: Beyond Fang's fury: a computational study of the enzyme–membrane interaction and catalytic pathway of the snake venom phospholipase A<sub>2</sub> toxin
Beyond Fang's fury: a computational study of the enzyme–membrane interaction and catalytic pathway of the snake venom phospholipase A<sub>2</sub> toxin Open
Investigation of the two most widely recognized catalytic pathways for snake venom-secreted phospholipases A 2 (svPLA 2 s): the ‘single-water mechanism’ and the ‘assisted-water mechanism’, in a membrane model.
View article: Unveiling the enzymatic pathway of UMG-SP2 urethanase: insights into polyurethane degradation at the atomic level
Unveiling the enzymatic pathway of UMG-SP2 urethanase: insights into polyurethane degradation at the atomic level Open
This work uncovers the detailed catalytic mechanism of UMG-SP2 urethanase, offering insights into improving PU degradation.
View article: The Kinetics of Carbon‐Carbon Bond Formation in Metazoan Fatty Acid Synthase and Its Impact on Product Fidelity
The Kinetics of Carbon‐Carbon Bond Formation in Metazoan Fatty Acid Synthase and Its Impact on Product Fidelity Open
Fatty acid synthase (FAS) multienzymes are responsible for de novo fatty acid biosynthesis and crucial in primary metabolism. Despite extensive research, the molecular details of the FAS catalytic mechanisms are still poorly understood. Fo…
View article: Die Kinetik der Kohlenstoff‐Kohlenstoff‐Bindungsbildung in der metazoischen Fettsäure Synthase und ihr Einfluss auf die Produktgenauigkeit
Die Kinetik der Kohlenstoff‐Kohlenstoff‐Bindungsbildung in der metazoischen Fettsäure Synthase und ihr Einfluss auf die Produktgenauigkeit Open
View article: Venomous Peptides: Molecular Origin of the Toxicity of Snake Venom PLA<sub>2</sub>-like Peptides
Venomous Peptides: Molecular Origin of the Toxicity of Snake Venom PLA<sub>2</sub>-like Peptides Open
Snakebite envenoming claims 81-138 thousand lives annually, with vipers responsible for many of those. Phospholipase A2 (PLA2) enzymes and PLA2-like proteins are among the most important viper venom toxins.…
View article: UMG-SP2
UMG-SP2 Open
View article: Corrigendum to “Computational analysis to comprehend the structure-function properties of fibrinolytic enzymes from Bacillus spp for their efficient integration into industrial applications” [Heliyon 10(13), July 2024, e33895]
Corrigendum to “Computational analysis to comprehend the structure-function properties of fibrinolytic enzymes from Bacillus spp for their efficient integration into industrial applications” [Heliyon 10(13), July 2024, e33895] Open
View article: QM/MM Study of the Reaction Mechanism of <scp>L</scp>-Tyrosine Hydroxylation Catalyzed by the Enzyme CYP76AD1
QM/MM Study of the Reaction Mechanism of <span>L</span>-Tyrosine Hydroxylation Catalyzed by the Enzyme CYP76AD1 Open
We have studied the hydroxylation mechanism of l-Tyr by the heme-dependent enzyme CYP76AD1 from the sugar beet (Beta vulgaris). This enzyme has a promising biotechnological application in modified yeast strains to produce medicinal …
View article: The Catalytic Mechanism of the Plastic-Degrading Enzyme Urethanase UMG-SP2
The Catalytic Mechanism of the Plastic-Degrading Enzyme Urethanase UMG-SP2 Open
The recently discovered metagenomic urethanases UMG-SP1, UMG-SP2, and UMG-SP3 have emerged as promising tools to improve existing chemical processes for polyurethane (PU) waste recycling. These enzymes are capable of breaking down urethane…
View article: Binding studies of promethazine and its metabolites with human serum albumin by high-performance affinity chromatography and molecular docking in the presence of codeine
Binding studies of promethazine and its metabolites with human serum albumin by high-performance affinity chromatography and molecular docking in the presence of codeine Open
“Purple Drank”, a soft drink containing promethazine (PMZ) and codeine (COD), has gained global popularity for its hallucinogenic effects. Consuming large amounts of this combination can lead to potentially fatal events. The binding of the…
View article: The Kinetics of Carbon-Carbon-Bond Formation in Metazoan Fatty Acid Synthase and its Impact on Product Fidelity
The Kinetics of Carbon-Carbon-Bond Formation in Metazoan Fatty Acid Synthase and its Impact on Product Fidelity Open
Fatty acid synthase (FAS) multienzymes are responsible for de novo fatty acid biosynthesis and crucial in primary metabolism. Despite extensive research, the molecular details of the FAS catalytic mechanisms are still poorly understood. Fo…
View article: Computational analysis to comprehend the structure-function properties of fibrinolytic enzymes from Bacillus spp for their efficient integration into industrial applications
Computational analysis to comprehend the structure-function properties of fibrinolytic enzymes from Bacillus spp for their efficient integration into industrial applications Open
The alignment of sixty fibrinolytic serine protease enzymes (molecular mass 12-86 kDa) sequences showed 49 enzymes possess a conserved domain with a catalytic triad of Asp196, His242, and Ser569. The predicted instability and aliphatic ind…
View article: METODOLOGIAS ATIVAS NO ENSINO HÍBRIDO: DESAFIOS E PERSPECTIVAS PARA A FORMAÇÃO DE COMPETÊNCIAS NA ETAPA FINAL DA EDUCAÇÃO BÁSICA
METODOLOGIAS ATIVAS NO ENSINO HÍBRIDO: DESAFIOS E PERSPECTIVAS PARA A FORMAÇÃO DE COMPETÊNCIAS NA ETAPA FINAL DA EDUCAÇÃO BÁSICA Open
O presente estudo teve como objetivo investigar as potencialidades da associação entre metodologias ativas e ensino híbrido para o desenvolvimento de competências no ensino médio. A pesquisa abordou a integração dessas estratégias como rec…
View article: Snake venom-inspired novel peptides protect<i>Caenorhabditis elegans</i>against paraquat-induced Parkinson’s pathology
Snake venom-inspired novel peptides protect<i>Caenorhabditis elegans</i>against paraquat-induced Parkinson’s pathology Open
The in vivo protective mechanisms of two low molecular mass (∼1.4 kDa) novel custom peptides (CPs) against paraquat (PT)-induced neurodegenerative dysfunction in the Caenorhabditis elegans model were deciphered. CPs prevent the PT binding …
View article: Correction: de Oliveira et al. Viper Venom Phospholipase A2 Database: The Structural and Functional Anatomy of a Primary Toxin in Envenomation. Toxins 2024, 16, 71
Correction: de Oliveira et al. Viper Venom Phospholipase A2 Database: The Structural and Functional Anatomy of a Primary Toxin in Envenomation. Toxins 2024, 16, 71 Open
In the published publication [...]
View article: DszA Catalyzes C–S Bond Cleavage through N<sup>5</sup>–Hydroperoxyl Formation
DszA Catalyzes C–S Bond Cleavage through N<sup>5</sup>–Hydroperoxyl Formation Open
Due to its detrimental impact on human health and the environment, regulations demand ultralow sulfur levels on fossil fuels, in particular in diesel. However, current desulfurization techniques are expensive and cannot efficiently remove …