A5027704086- Chemical Synthesis and Analysis
- Cardiac Imaging and Diagnostics
- Crystallization and Solubility Studies
- Molecular Sensors and Ion Detection
- DNA and Nucleic Acid Chemistry
- X-ray Diffraction in Crystallography
- Peroxisome Proliferator-Activated Receptors
- Pulmonary Hypertension Research and Treatments
- Acute Myocardial Infarction Research
- Crystallography and molecular interactions
- Coronary Interventions and Diagnostics
- Trauma Management and Diagnosis
- Cardiac Structural Anomalies and Repair
- Chemical Reaction Mechanisms
- Cannabis and Cannabinoid Research
- Synthesis and Biological Evaluation
- Mass Spectrometry Techniques and Applications
- Eicosanoids and Hypertension Pharmacology
- Structural and Chemical Analysis of Organic and Inorganic Compounds
- Ion Channels and Receptors
- Vascular Procedures and Complications
- Carbon dioxide utilization in catalysis
- Polyamine Metabolism and Applications
- Parkinson's Disease and Spinal Disorders
- Sirtuins and Resveratrol in Medicine
American College of Veterinary Surgeons
2023
The University of Queensland
2023
University of Pisa
2023
Washington State University
2023
North Carolina State University
2023
Centro de Investigaciones Biológicas Margarita Salas
2015-2021
Complexo Hospitalario Universitario A Coruña
2018
Instituto de Química Médica
2011-2015
Consejo Superior de Investigaciones Científicas
2009-2015
Hospital Universitario Lucus Augusti
2011-2013
Polyamines play an important role in biology, yet their exact function many processes is poorly understood. Artificial host molecules capable of sequestering polyamines could be useful tools for studying cellular function. However, designing synthetic receptors with affinities sufficient to compete biological polyamine remains a huge challenge. Binding hosts are typically separated by gap several orders magnitude from those biomolecules. We now report that dynamic combinatorial selection...
A number of artificial carriers for the transport zwitterionic aromatic amino acids across bulk model membranes (U-tube type) have been prepared and evaluated. 1,2-Dichloroethane dichloromethane were employed in organic phase. All compounds are based on a bicyclic chiral guanidinium scaffold that ideally complements carboxylate function. The central moiety was attached to crown ethers or lasalocid as specific subunits ammonium recognition well hydrophobic residues evaluate their potential...
Abstract Dynamic combinatorial chemistry applied to biological environments requires the exchange of choice take place under physiological conditions. Thiol-disulfide exchange, one most popular dynamic chemistries, usually needs long equilibration times reach required equilibrium composition. Here we report selenocystine as a catalyst mimicking Nature’s strategy accelerate thiol-disulfide at pH and low temperatures. Selenocystine is able slow systems promote correct folding an scrambled...
The aim of this study was to evaluate a new protocol allowing coronary angiography be performed transradially in spite the occurrence iatrogenic radial artery perforation during catheterization. Nine patients with were managed conservatively by inserting long arterial sheath damaged up brachial artery, after which diagnostic and/or interventional procedures that had motivated transradial catheterization completed via protected artery. Radial immediately thereafter showed no extravasation,...
The discovery, in a two-phase dynamic combinatorial library, of an unexpected linear receptor and transporter for spermine is described.
A two-phase approach to dynamic combinatorial chemistry is described using disulfide exchange chemistry; the use of two phases significantly increases possibilities and scope by facilitating combination otherwise incompatible building blocks.
Although 2,4,6‐trifluoro‐1,3,5‐triazine, C 3 F N , is a highly symmetrical molecule, its NMR parameters can be obtained by reducing symmetry through the introduction of 14 N/ 15 and 12 C/ 13 isotopomers. Experimental computed chemical shifts cyanuric fluoride have been for C, N, 19 F. Spin‐spin coupling constants measured compared with previous experimental data complete set EOM‐CCSD constants.
Abstract Dynamic combinatorial chemistry (DCC) has proven its potential in drug discovery speeding the identification of modulators biological targets. However, exchange chemistries typically take place under specific reaction conditions, with limited tools capable operating physiological parameters. Here we report a catalyzed protein-directed DCC working at low temperatures that allows calcium sensor NCS-1 to find best ligands situ. Ultrafast NMR identifies intermediates acylhydrazone...
Summary We have modelled elaidyl-sulfamide (ES), a sulfamoyl analogue of oleoylethanolamide (OEA). ES is lipid mediator satiety that works through the peroxisome proliferator-activated receptor alpha (PPARα). characterised pharmacological profile (0.3-3 mg/kg) by means in silico molecular docking to PPARα receptor, vitro transcription and vivo administration obese rats. interacts with binding site similar way OEA, capable activating also reduces feeding dose-dependent manner when...
Paracetamol also known as acetaminophen, is a widely used analgesic and antipyretic agent. We report the synthesis biological evaluation of adamantyl analogues paracetamol with important properties. The mechanism nociception compound 6a/b, an analog paracetamol, not exerted through direct interaction cannabinoid receptors, nor by inhibiting COX. It behaves interesting selective TRPA1 channel antagonist, which may be responsible for its properties, whereas it has no effect on TRPM8 TRPV1...
The behavior under thermal conditions of the cocrystal formed by metformin and salicylic acid was studied DSC, crystallography (single-crystal), powder diffraction (WAXS). Metformin salicylate crystallizes in space group P21/c, with anion showing a planar structure, stabilized strong intramolecular hydrogen bonds. more flexible cations link through oxygen atoms salicylate, forming dense hydrogen-bonding network. compound exists initially as salt, but after melting cooling, it is transformed...
Original inhibitors of HIV-1 protease based on a chiral bicyclic guanidinium scaffold linked to short peptidic mimics the terminal sequences and lipophilic group were designed. These prevent dimerization native by an interfacial structure at highly conserved antiparallel β-strand involving both N C termini that substantially account for dimerization. The preorganized spacer introduces additional electrostatic hydrogen-bonding interactions with C-terminal Phe-99 carboxylate. Lipophilic...
This letter describes the synthesis and in vitro vivo evaluation of dual ligands targeting cannabinoid peroxisome proliferator-activated receptors (PPAR). These compounds were obtained from fusing pharmacophores fibrates diarylpyrazole rimonabant, a receptor antagonist. They are first examples with nanomolar affinity for both PPARα receptors. Besides, lead compound 2 proved to be CB1 selective. Unexpectedly, phenol intermediates tested equipotent (compound 1 as compared 2) or even more...
Polycationic oligo(chiral bicyclic guanidines) constitute useful non-peptidic penetrating agents for cell uptake and protein surface recognition. We report herein improved selective procedures the preparation of oligoguanidinium scaffolds linked through thioether bonds, with similar or different groups functions at both ends chain. Two synthetic strategies were developed to obtain these compounds in relatively good yields from a common thioacetate precursor: generation disulfide intermediate...
A series of new peroxisome proliferator activated receptors (PPARs) chiral ligands have been designed following the accepted three-module structure comprising a polar head, linker, and hydrophobic tail. The majority incorporate oxazolidinone moiety as novel nature tail has also varied. Docking studies using crystal an agonist bound to ligand binding domain PPARα receptor performed tool for their design. Suitable synthetic procedures developed, compounds with different stereochemistries...
The exercise treadmill test is widely used in the evaluation of patients with suspected or known coronary artery disease. typical ischemic response to be ST-segment depression. We describe a case 51-year-old Caucasian man an unusual during test: "giant R wave" electrocardiogram pattern as manifestation hyperacute ischemia that resolved sublingual nitroglycerin. Coronary catheterization showed severe stenosis proximal dominant circumflex artery. hypothesize that, this case, was related due...
When N-unsubstituted indazoles, like indazole itself, reacted with 1-fluoro-2,4-dinitrobenzene or 1-chloro-2,4,6-trinitrobenzene, three products were obtained whose structures determined by X-ray diffraction. Besides the two N-substituted nitroaryl derivatives, a third compound was same molecular formula (C13H8N4O4) to which assigned structure of derivative benzotriazole N-oxide. With combined use crystallography, NMR and DFT calculations this reaction studied special stress on mechanism...
Mechanistic study and superior performance of electron-rich p -substituted aniline derivatives as catalysts for efficient hydrazone formation exchange in both protic aprotic solvents.