A5011821424- Chemical Synthesis and Analysis
- Antimicrobial Peptides and Activities
- Machine Learning in Bioinformatics
- Supramolecular Self-Assembly in Materials
- Polysaccharides Composition and Applications
- Food Chemistry and Fat Analysis
- Innovative Microfluidic and Catalytic Techniques Innovation
- SARS-CoV-2 and COVID-19 Research
- Artificial Intelligence in Healthcare and Education
- Computational Drug Discovery Methods
- Inflammasome and immune disorders
- Surfactants and Colloidal Systems
- PARP inhibition in cancer therapy
- Polydiacetylene-based materials and applications
- Nanoparticle-Based Drug Delivery
- Machine Learning in Materials Science
- Adipokines, Inflammation, and Metabolic Diseases
- Advanced biosensing and bioanalysis techniques
Universidade de Santiago de Compostela
2020-2025
Center for Research in Molecular Medicine and Chronic Diseases
2023-2024
The synergistic relationships between Cancer, Aging, and Infection, here referred to as the CAIn Triangle, are significant determinants in numerous health maladies mortality rates. CAIn-related pathologies exhibit close correlations with each other share two common underlying factors: persistent inflammation anomalous lipid concentration profiles membranes of affected cells. This study provides a comprehensive evaluation most pertinent interconnections within addition examining relationship...
The modulation of spatial isomerism sugar-based surfactants enables tailoring their assembly behaviour and the macroscopic response, allowing development a variety functions without altering chemical composition system.
Cyclic peptides have emerged as promising candidates for drug development due to their unique structural properties and potential therapeutic benefits. However, clinical applications are limited by low membrane permeability,...
Self-assembled nanotubes (SCPNs) formed by alternating chirality α-Cyclic Peptides (d,l-α-CPs) have presented interesting biological applications, such as antimicrobial activity or ion transmembrane transport. Due to difficulties follow these processes with experimental techniques, Molecular Dynamics (MD) simulations been commonly used understand the mechanism that led their activity. However, high computational cost of atomic resolution makes them unsuitable for simulating dynamic involving...
Cyclic peptides (CPs) formed by alternation of D- and L-amino acids (D,L-CPs) can self-assemble into nanotubes (SCPNs) parallel or/and antiparallel stacking. Different applications have been attributed to these nanotubes, including the disruption lipid bilayers specific compositions selective transport ions throughout membranes. Molecular dynamics (MD) simulations significantly contributed understand interaction between CPs, structural, dynamic properties their supramolecular aggregates. The...
The study of cyclic peptides (CPs) and self-assembling peptide nanotubes (SCPNs) is pivotal in advancing applications diverse fields such as biomedicine, nanoelectronics, catalysis. Recognizing the limitations experimental these molecules, this article introduces CYCLOPEp Builder, a comprehensive web-based application designed to facilitate design, simulation, visualization CPs SCPNs. tool engineered generate molecular topologies, essential for conducting Molecular Dynamics simulations that...