A5048144057- Renal and related cancers
- Protein Structure and Dynamics
- Birth, Development, and Health
- Gestational Diabetes Research and Management
- Epigenetics and DNA Methylation
- Microtubule and mitosis dynamics
- Cannabis and Cannabinoid Research
- Biochemical and Molecular Research
- Medical Imaging Techniques and Applications
- Viral Infections and Outbreaks Research
- Alcohol Consumption and Health Effects
- CAR-T cell therapy research
- Monoclonal and Polyclonal Antibodies Research
- Viral Infections and Vectors
- Pharmacological Effects of Natural Compounds
- Mosquito-borne diseases and control
- Machine Learning in Materials Science
- HIV/AIDS drug development and treatment
- vaccines and immunoinformatics approaches
- HIV Research and Treatment
- Machine Learning in Bioinformatics
- Cancer, Lipids, and Metabolism
- Genetics and Neurodevelopmental Disorders
- Molecular Sensors and Ion Detection
- Peroxisome Proliferator-Activated Receptors
Brazilian Biosciences National Laboratory
2019-2024
Brazilian Center for Research in Energy and Materials
2019-2024
Universidade Estadual de Campinas (UNICAMP)
2016-2024
Abstract Mayaro virus (MAYV) is an emerging arbovirus of the Americas that may cause a debilitating arthritogenic disease. The biology MAYV not fully understood and largely inferred from related alphaviruses. Here, we present structure at 4.4 Å resolution, obtained preparation mature, infective virions. presents typical alphavirus features organization. Interactions between viral proteins lead to particle formation are described together with hydrophobic pocket formed E1 E2 spike...
Abstract Molecular interactions that modulate catalytic processes occur mainly in cavities throughout the molecular surface. Such with specific small molecules due to geometric and physicochemical complementarity receptor. In this scenario, we present KVFinder-web, an open-source web-based application of parKVFinder software for cavity detection characterization biomolecular structures. The KVFinder-web has two independent components: a RESTful web service graphical portal. Our service,...
Biomolecular interactions that modulate biological processes occur mainly in cavities throughout the surface of biomolecular structures. In data science era, structural biology has benefited from increasing availability biostructural due to advances determination and computational methods. this scenario, data-intensive cavity analysis demands efficient scripting routines built on easily manipulated To fulfill need, we developed pyKVFinder, a Python package detect characterize structures for...
To identify underlying mechanisms involved with metastasis formation in Wilms tumors (WTs), we performed comprehensive DNA methylation and gene expression analyses of matched normal kidney (NK), WT blastemal component, metastatic tissues (MT) from patients treated under SIOP 2001 protocol. A linear Bayesian framework model identified 497 differentially methylated positions (DMPs) between groups that discriminated NK WT, but MT samples were divided two groups. Accordingly, variance grouped...
Biological processes are regulated mainly by the binding of small molecules into cavities distributed throughout biomolecular structure. Computational tools to detect these have an essential role in rational drug design. With exponential availability high-order 3D atomic structures and large sets models, must balance accuracy speed. In this sense, we developed parKVFinder, a parallelized software for geometry-based cavity detection. Here, described its functionalities presented easy-to-use...
Confining molecular guests within artificial hosts has provided a major driving force in the rational design of supramolecular cages with tailored properties. Over last 30 years, set strategies have been developed that enabled controlled synthesis myriad cages. Recently, there growing interest involving silico methods this toolbox. Cavity shape and size are important parameters can be easily accessed by inexpensive geometric algorithms. Although these algorithms well for detection...
Peroxisome proliferator-activated receptor gamma (PPARγ) is a nuclear with key role in metabolic processes and target of CDK5 kinase phosphorylation at S245 (S273 PPARγ isoform 2), thereby inducing insulin resistance. A remarkable effort has been addressed to find ligands that inhibit phosphorylation, but the poor understanding this field challenges design such ligands. Here, through computational biophysical methods, we explored an experimentally validated model PPARγ-CDK5 complex,...
Integrative network analysis (INA) is important for identifying gene modules or epigenetically regulated molecular pathways in diseases. This study evaluated the effect of excessive gestational weight gain (EGWG) on INA differentially methylated regions, maternal metabolism and offspring growth. Brazilian women from "The Araraquara Cohort Study" with adequate pre-pregnancy body mass index were divided into EGWG (n=30) versus (AGWG, n=45) groups. The methylome was performed blood using...
Changes in body weight are associated with the regulation of DNA methylation (DNAm). In this study, we investigated associations between maternal gestational gain-related DNAm and foetal neonatal composition.Brazilian pregnant women from Araraquara Cohort Study were followed up during pregnancy, delivery, after hospital discharge. Women normal pre-pregnancy BMI allocated into two groups: adequate gain (AGWG, n = 45) excessive (EGWG, 30). Foetal composition was evaluated via ultrasound...
Deep learning methods, trained on the increasing set of available protein 3D structures and sequences, have substantially impacted modeling design field. These advancements facilitated creation novel proteins, or optimization existing ones designed for specific functions, such as binding a target protein. Despite demonstrated potential approaches in designing general binders, their application immunotherapeutics remains relatively underexplored. A relevant is T cell receptors (TCRs). Given...
Deep learning methods, trained on the increasing set of available protein 3D structures and sequences, have substantially impacted modeling design field. These advancements facilitated creation novel proteins, or optimization existing ones designed for specific functions, such as binding a target protein. Despite demonstrated potential approaches in designing general binders, their application immunotherapeutics remains relatively unexplored. A relevant is T cell receptors (TCRs). Given...
Background: Changes in body weight are associated with the regulation of DNA methylation (DNAm). In this study, we investigated associations between maternal gestational gain-related DNAm and foetal neonatal composition. Methods: Brazilian pregnant women from Araraquara Cohort Study were followed up during pregnancy, delivery, after hospital discharge. Women normal pre-pregnancy BMI allocated to two groups: adequate gain (AGWG, n=45) excessive (EGWG, n=30). Foetal composition was evaluated...
Wilms tumors (WTs) are the most common renal with a relapse rate of ~25%, from which long-term survival remains approximately 50%.The ability relapsing is associated resistance to chemotherapy and capacity forming distant metastasis.Because in DNA methylation has being correlated tumor cells plasticity, we purposed characterize changes normal kidney (NK), WT metastasis identify mechanisms involved progression resistance.
ABSTRACT Mayaro virus (MAYV) is an emerging arbovirus of the Americas that may cause a debilitating arthritogenic disease. The biology MAYV not fully understood and largely inferred from related alphaviruses. Here we present structure at 4.4 Å resolution, obtained preparation mature, infective virions. presents typical alphavirus features organization. Interactions between viral proteins lead to particle formation are described together with hydrophobic pocket formed E1 E2 spike...