A5055231819- Molecular spectroscopy and chirality
- Toxin Mechanisms and Immunotoxins
- Drug Transport and Resistance Mechanisms
- Natural product bioactivities and synthesis
- Chromatography in Natural Products
- Pharmacological Effects of Natural Compounds
- Metal complexes synthesis and properties
- Advanced Chemical Physics Studies
- Synthesis and biological activity
- Spectroscopy and Quantum Chemical Studies
- Plant Toxicity and Pharmacological Properties
- Nanoparticle-Based Drug Delivery
- Free Radicals and Antioxidants
- Plant Virus Research Studies
- Heat shock proteins research
- Crystallization and Solubility Studies
- Phytochemical compounds biological activities
- Cannabis and Cannabinoid Research
- Photochromic and Fluorescence Chemistry
- Advanced NMR Techniques and Applications
- Synthesis and Characterization of Heterocyclic Compounds
- X-ray Diffraction in Crystallography
- Enzyme Structure and Function
- Cancer therapeutics and mechanisms
- Biochemical Analysis and Sensing Techniques
Consejo Nacional de Investigaciones Científicas y Técnicas
2017-2023
National University of Mar del Plata
2017-2023
Fundación Ciencias Exactas y Naturales
2017-2023
P-glycoprotein (P-gp) is a membrane protein associated with multidrug resistance (MDR) due to its key role in mediating the traffic of chemotherapeutic drugs outside cancer cells, leading cellular response that hinders efforts toward successful therapy. With aim finding agents circumvent MDR phenotype mediated by P-gp, 15 compounds isolated from native and naturalized plants Argentina were screened. Among these, non-cytotoxic lignan (±) pinoresinol successfully restored sensitivity...
Abstract P-gp-associated multidrug resistance is a major impediment to the success of chemotherapy. With aim finding non-toxic and effective P-gp inhibitors, we investigated panel quinolin-2-one-pyrimidine hybrids. Among active compounds, two them significantly increased intracellular doxorubicin rhodamine 123 accumulation by inhibiting efflux mediated restored toxicity at nanomolar range. Structure–activity relationships showed that number methoxy groups, an optimal length molecule in its...
Introduction: Cannabidiol (CBD), the main non-psychoactive cannabinoid of Cannabis sativa plant, is a powerful antioxidant compound that in recent years has increased interest due to causes effects wide range biological functions. Zika virus (ZIKV) transmitted mainly by Aedes aegypti mosquitoes, which neurological diseases, such as microcephaly and Guillain-Barre syndrome. Although frequency viral outbreaks recently, no vaccinations or particular chemotherapeutic treatments are available for...
To find novel P-gp-inhibitors, a library of pregnane X receptor (PXR) ligands and the ZINC DrugsNow were superimposed on P-gp inhibitor (+)-pinoresinol (1) used as query for three-dimensional similarity search. After determining TanimotoCombo index with 1, eight compounds from PXR two selected biological evaluation. The inhibition study showed that 7, 8, 9 successfully increased intracellular doxorubicin (DOX) accumulation in overexpressed Lucena 1 cells 25, 12.5, 6.25 μM, respectively....
Eqolisins are rare acid proteases found in archaea, bacteria and fungi. Certain fungi secrete acids as part of their lifestyle interestingly these also have many eqolisin paralogs, up to nine paralogs been recorded. This suggests a process functional redundancy diversification has occurred, which was the subject research we performed describe here.We identified homologs by means iterative HMMER analysis NR database. The sequences were scrutinized for new hallmarks molecular dynamics...
Abstract A free‐catalyst microwave‐assisted cyanation of brominated Tröger's base derivatives ( 2a ‐ f ) is reported. The procedure simple, efficient, and clean affording the nitrile compounds 3a e, I in very good yields. Complete assignment 1 H 13 C chemical shifts f, d, was achieved using gradient selected 1D nuclear magnetic resonance (NMR) techniques (1D zTOCSY, PSYCHE, DPFGSE NOE, DEPT), homonuclear 2D NMR (gCOSY zTOCSY), heteronuclear (gHSQCAD/or pure‐shift gHSQCAD, gHMBCAD,...
Tröger′s bases have been attracting great interest due to their potential applications in nanoelectronics, supramolecular chemistry, molecular recognition, biological activity and auxiliaries for asymmetric synthesis. However, there is still no detailed step by proposal the mechanism leading production of these compounds available. A set five model syntheses symmetric base derivatives starting from substituted anilines formaldehyde was studied envisaged as representative understanding...
The reactions of 2-naphthylamine and methyl 6-amino-2-naphthoate with formalin paraformaldehyde were studied experimentally, spectrally, by quantum chemical calculations. It was found that neither the corresponding aminals nor imines formed under described conditions but could be prepared spectrally characterized at least in situ modified conditions. Several previously undescribed intermediates by-products isolated or characterized. First principle density functional theory (DFT)...
The main goal of this work was to report the synthesis, characterization, and cytotoxicity study a novel copper(II)-sunitinib complex, CuSun. It has been synthesized characterized in solid state solution by different methods (such as DFT, FTIR, Raman, UV-vis, EPR, NMR, etc.). solid-state molecular structure trichlorosunitinibcopper(II), where sunitinib: N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide, for short Cu(Sun)Cl3,...
Background: Tumor angiogenesis is considered as a crucial pathologic feature of cancer with key role in multidrug resistance (MDR). Adverse effects the currently available drugs and development to these remain hardest obstacles defeat. Objetive: This work explores flora from Argentina source new chemical entities antiangiogenic activity. Methods: Tube formation assay using bovine aortic endothelial cells (BAECs) was experiment choice assess The effect pure compound cell invasiveness...
Abstract Tröger's bases (TB) have enormous applicability in different areas of science and technology. The mechanisms reaction aminoaromatics with formaldehyde acid media are described depth using DFT calculations model synthesis from our group. When naphthylamines anthracenylamine were used, a mixture products was obtained, highlighting the corresponding TB, acridine novel isomer called SpiroTB, depending on amino precursor conditions. Using methyl‐6‐amino‐naphthalene‐2‐carboxylate, ten...
Abstract Background Eqolisins are rare acid proteases found in archaea, bacteria and fungi. Certain fungi secrete acids as part of their lifestyle interestingly these also have many eqolisin paralogs, up to nine paralogs been recorded. This suggests functional redundancy diversification, which was the subject research we performed describe here. Results We identified homologs by means iterative HMMER analysis NR database. The sequences were scrutinized for defined novel hallmarks, molecular...
Tröger’s bases (TBs) have shown great potential to be used in different fields of science, such as biology, organic synthesis, photoelectronic applications, among others. As we recently shown, a series asymmetrically substituted base derivatives showed unexpected pull-push behavior. The aliphatic diazocine heterocycle which connect an electron donor and acceptor moieties efficiently couples both electronic subsystems if it were typical π-conjugated linker. A thorough computational study was...
Abstract P-gp-associated multidrug resistance (MDR) is a major impediment to the success of chemotherapy. With aim finding non-toxic and effective P-gp inhibitors, we investigated panel quinolin-2-one-pyrimidine hybrids. Among active compounds, two them significantly increased intracellular doxorubicin rhodamine 123 accumulation by inhibiting efflux mediated restored toxicity at nanomolar range. Structure-activity relationships showed that number methoxy groups, an optimal length molecule in...