A5011883001- Advanced Glycation End Products research
- RNA and protein synthesis mechanisms
- Free Radicals and Antioxidants
- Protein Structure and Dynamics
- Bacteriophages and microbial interactions
- Monoclonal and Polyclonal Antibodies Research
- Chemical Synthesis and Analysis
- Click Chemistry and Applications
- Glycosylation and Glycoproteins Research
- Stress Responses and Cortisol
- Enzyme Structure and Function
- vaccines and immunoinformatics approaches
- Machine Learning in Bioinformatics
- Computational Drug Discovery Methods
- Synthesis and biological activity
- Pneumocystis jirovecii pneumonia detection and treatment
- Galectins and Cancer Biology
- Microbial Natural Products and Biosynthesis
- Antimicrobial Peptides and Activities
- Alcohol Consumption and Health Effects
- Biochemical effects in animals
- SARS-CoV-2 and COVID-19 Research
- Protein Interaction Studies and Fluorescence Analysis
University of Milan
2017-2025
Advanced Lipoxidation End-products (ALEs) are modified proteins that can act as pathogenic factors in several chronic diseases. Several molecular mechanisms have so far been considered to explain the damaging action of ALEs and among these a pathway involving receptor for advanced glycation end products (RAGE) should be considered. The aim present work is understand if formed from lipid peroxidation derived reactive carbonyl species (RCS) able RAGE binders also gain deeper insight into...
Accelerated molecular dynamics (aMD) protocols were assessed on predicting the secondary structure of eight peptides, which two are helical, three β-hairpins, and disordered. Protocols consisted combinations force fields (ff99SB, ff14SB, ff19SB) explicit solvation models (TIP3P OPC), evaluated in independent aMD simulations, one starting from an extended conformation, other a misfolded conformation. The results these analyses indicate that all performed well helical peptides. As for ff19SB...
The design and synthesis of a series peptide derivatives based on short ACE2 α-helix 1 epitope subsequent [i - i+4] stapling the secondary structure resulted in identification 9-mer capable to compete with recombinant towards Spike RBD micromolar range. Specifically, SARS-CoV-2 inhibitor screening colorimetric ELISA assay structural studies by circular dichroism showed ring-closing metathesis cyclization being stabilize helical 34HEAEDLFYQ42 better than triazole via click chemistry. MD...
Abstract N-glycosylation plays a key role in modulating the bioactivity of monoclonal antibodies (mAbs), as well light chain (LC) isotype can influence their physicochemical properties. However, investigating impact such features on mAbs conformational behavior is big challenge, due to very high flexibility these biomolecules. In this work we investigate, by accelerated molecular dynamics (aMD), two commercial immunoglobulins G1 (IgG1), representative κ and λ LCs antibodies, both fucosylated...
Though the bulk of COVID-19 pandemic is behind, search for effective and safe anti-SARS-CoV-2 drugs continues to be relevant. A highly pursued approach antiviral drug development involves targeting viral spike (S) protein SARS-CoV-2 prevent its attachment cellular receptor ACE2. Here, we exploited core structure polymyxin B, a naturally occurring antibiotic, design synthesize unprecedented peptidomimetics (PMs), intended target contemporarily two defined, non-overlapping regions S...
Antimicrobial resistance (AMR) poses a serious threat to our society from both the medical and economic point of view, while antibiotic discovery pipeline has been dwindling over last decades. Targeting non-essential bacterial pathways, such as those leading persistence, bet-hedging strategy, will lead new molecular entities displaying low selective pressure, thereby reducing insurgence AMR. Here, we describe way target (p)ppGpp (guanosine tetra- or penta-phosphate) signaling, pathway...
This data article contains the results of docking simulations performed in order to develop a suitable silico strategy able assess stability putative complexes between RAGE and MDA induced adducts on human albumin as experimentally determined doi: 10.1016/j.redox.2016.12.017, (Degani et al., 2017) [1]. The involved different approaches give simplified yet realistic representation protein their environment. With increasing complexity, corresponding tripeptides pentapeptides with modified...