A5017869212- HIV/AIDS drug development and treatment
- Biochemical and Molecular Research
- DNA and Nucleic Acid Chemistry
- Computational Drug Discovery Methods
- Adenosine and Purinergic Signaling
- Synthesis and Biological Evaluation
- Synthesis and biological activity
- Chemical Synthesis and Analysis
- Receptor Mechanisms and Signaling
- Synthesis of Organic Compounds
- Synthesis and Characterization of Heterocyclic Compounds
- Allelopathy and phytotoxic interactions
- X-ray Diffraction in Crystallography
- Click Chemistry and Applications
- Chemical Synthesis and Reactions
- Crystallization and Solubility Studies
- Carbohydrate Chemistry and Synthesis
- Plant tissue culture and regeneration
- Cytomegalovirus and herpesvirus research
- Synthetic Organic Chemistry Methods
- Synthesis and Biological Activity
- Asymmetric Synthesis and Catalysis
- Advanced biosensing and bioanalysis techniques
- Cancer therapeutics and mechanisms
- Inflammatory mediators and NSAID effects
Universidade de Vigo
2010-2024
Servicio Gallego de Salud
2024
Universidade de Santiago de Compostela
1996-2019
University of Padua
1999-2003
Tecnologie Avanzate (Italy)
2003
Rega Institute for Medical Research
2000
KU Leuven
2000
Universidad de Santiago de Chile
1999
Bangor University
1997
Room-temperature ionic liquids (ILs) are considered green chemicals that may replace volatile organic solvents currently used by industry. However, toxicological effects of ILs not well known. In this study, we describe the cytotoxicity selected imidazolium-derived in Caco-2 cells, prototypical human epithelial cells. The most toxic IL was 1-decyl-3-methylimidazolium chloride ([C10mim][Cl]), whereas least 1,3-dimethylimidazolium methyl sulfate ([C1mim][MSO4]). Using experimental data...
A topological substructural approach to molecular design (TOSS-MODE) has been introduced for the selection and of anticancer compounds. quantitative model that discriminates compounds from inactive ones in a training series was obtained. This permits correct classification 91.43% an external prediction set with only 1.43% false actives 7.14% inactives. The developed is then used simulation virtual search Ras FTase inhibitors; 87% inhibitors this simulated were correctly classified, thus...
A practical, integrated and versatile U-4CR-based assembly of 1,4-benzodiazepin-2-ones exhibiting functionally, skeletally, stereochemically diverse substitution patterns is described. By virtue its convergence, atom economy, bond-forming efficiency, the methodology documented herein exemplifies reconciliation structural complexity experimental simplicity in context medicinal chemistry projects.
The synthesis of new tetrahydrobenzo- and benzopsoralen derivatives carrying at position 5 or 8 the furocoumarin moiety a methoxy, hydroxy, dimethylaminopropoxy side chain is reported. study their photoantiproliferative activity ability to induce erythema on guinea pig skin allows us state that exhibit very interesting photobiological pattern. Indeed, if compared with lead compounds 5-MOP 8-MOP, they exert higher cytotoxic devoid significant phototoxicity. Between them, more appears be 16,...
Trans-cinnamaldehyde is a specialised metabolite that naturally occurs in plants of the Lauraceae family. This study focused on phytotoxic effects this compound morphology and metabolism Arabidopsis thaliana seedlings.To evaluate phytotoxicity trans-cinnamaldehyde, dose-response curve was first performed for root growth process order to calculate reference inhibitory concentrations IC50 IC80 (trans-cinnamaldehyde inducing 50% 80% inhibition, respectively). Subsequently, structure...
The present study investigates the phytotoxic potential of azelaic acid (AZA) on Arabidopsis thaliana roots. Effects root morphology, anatomy, auxin content and transport, gravitropic response molecular docking, were analysed. AZA inhibited growth, stimulated lateral adventitious roots, altered apical meristem by reducing cell number, length width. treatment also slowed down roots' response, likely due to a reduction in statoliths, starch-rich organelles involved gravity perception. In...
A(2B) adenosine receptor antagonists may be beneficial in treating diseases like asthma, diabetes, diabetic retinopathy, and certain cancers. This has stimulated research for the development of potent ligands this subtype, based on quantitative structure-affinity relationships. In work, a new ensemble machine learning algorithm is proposed classification prediction ligand-binding affinity antagonists. training different classifier models with multiple sets (composed same compounds but...
Desirability theory (DT) is a well‐known multi‐criteria decision‐making approach. In this work, DT employed as prediction model (PM) interpretation tool to extract useful information on the desired trade‐offs between binding and relative efficacy of N 6 ‐substituted‐4′‐thioadenosines A 3 adenosine receptor (A AR) agonists. At same time, it was shown usefulness parallel but independent approach providing feedback reliability combination properties predicted unique desirability value. The...