A5071785591- Synthesis and biological activity
- Synthesis and Biological Evaluation
- Cholinesterase and Neurodegenerative Diseases
- Computational Drug Discovery Methods
- Synthesis and Reactions of Organic Compounds
- Click Chemistry and Applications
- Parkinson's Disease Mechanisms and Treatments
- Synthesis and Reactivity of Heterocycles
- Amyotrophic Lateral Sclerosis Research
- Electrochemical sensors and biosensors
- Nerve injury and regeneration
- Sirtuins and Resveratrol in Medicine
- Inflammatory mediators and NSAID effects
- Phenothiazines and Benzothiazines Synthesis and Activities
- Synthesis and Characterization of Heterocyclic Compounds
- Chemical synthesis and alkaloids
- Adenosine and Purinergic Signaling
- Neurotransmitter Receptor Influence on Behavior
- Biochemical Acid Research Studies
- Chemical Synthesis and Analysis
- Tryptophan and brain disorders
- Calcium signaling and nucleotide metabolism
- Enzyme function and inhibition
- Synthesis of Organic Compounds
- Sulfur-Based Synthesis Techniques
Universidade de Santiago de Compostela
2012-2023
Center for Research in Molecular Medicine and Chronic Diseases
2019
Hospital Clínico San Carlos
2016-2018
Instituto de Investigación Sanitaria del Hospital Clínico San Carlos
2016-2018
Universidad Complutense de Madrid
2016-2018
Universidad Autónoma de Madrid
2011-2016
Sapienza University of Rome
2008-2014
Universidade de Vigo
2011
National University of Tucumán
2011
University of Cagliari
2008
A large series of substituted chalcones have been synthesized and tested in vitro for their ability to inhibit human monoamine oxidases B (hMAO-A hMAO-B). While all the compounds showed hMAO-B selective activity micro- nanomolar ranges, best results were obtained presence chlorine hydroxyl or methoxyl substituents. To better understand enzyme-inhibitor interaction explain selectivity most active toward hMAO-B, molecular modeling studies carried out on new, high resolution, crystallographic...
A large series of 3-carboxamido-7-substituted coumarins have been synthesized and tested in vitro for their human monoamine oxidase B (hMAO-A hMAO-B) inhibitory activity. Taking into account all the relevant structural information on MAOs reported literature, we made some changes coumarin nucleus examined with particular attention effect activity selectivity substituting at position 3 N-aryl or N-alkyl carboxamide 7 a benzyloxy 4′-F-benzyloxy group. Some assayed compounds proved to be...
Two series of novel chromone derivatives were synthesized and investigated for their ability to inhibit the activity monoamine oxidase. The SAR data indicate that with substituents in position 3 γ-pyrone nucleus act preferably as MAO-B inhibitors, IC(50) values nanomolar micromolar range. Almost all 3-carboxamides display selectivity toward MAO-B. Identical substitutions on 2 result complete loss both isoforms (chromones 2-12 except 5). Notably, (19) exhibits an 63 nM, greater than 1000-fold...
The work provides a new model for the prediction of MAO-A and -B inhibitor activity by use combined complex networks QSAR methodologies. On basis obtained model, we prepared assayed 33 coumarin derivatives, theoretical was compared with experimental data. correctly predicted 27 compounds, most active derivatives showed IC 50 values in muM-nM range against both MAO-B isoforms. Compound 14 shows same inhibitory (IC = 7.2 nM), as clorgyline used reference has highest specificity (1000-fold...
The complex etiology of Alzheimer's disease (AD) has encouraged active research in the development multi-target drugs with two or more complementary biological activities, since they may represent an important advance treatment this disease. A series 3-substituted coumarins were synthesized and evaluated as monoamino oxidases (MAO) acetylcholinesterase (AChE) inhibitors. Most 3-benzamide coumarin derivatives inhibited both MAO-B AChE values micromolar range. It might be a promising direction...
A series of homoisoflavonoids [(E)-3-benzylidenechroman-4-ones 1a−w, 3-benzyl-4H-chromen-4-ones 2a−g, and 3-benzylchroman-4-ones 3a−e] have been synthesized tested in vitro as inhibitors human monoamine oxidase isoforms B (hMAO-A hMAO-B). Most the compounds were found to be potent selective MAO-B inhibitors. In general, (E)-3-benzylidenechroman-4-ones 1a−w showed activities nano- or micromolar range coupled with high selectivity against hMAO-B. The reduction exocyclic double bond results...
A series of 2-methylcyclohexylidene-(4-arylthiazol-2-yl)hydrazones have been investigated for their ability to inhibit selectively the activity human and B isoforms monoamine oxidase (MAO). The target compounds, which present a stereogenic center on cyclohexane ring, were obtained as pure (R) (S) enantiomers by enantioselective HPLC. absolute configuration homochiral forms isolated semipreparative scale was combined strategy based chemical correlation single-crystal X-ray diffraction. All...
Many drugs with very different affinity to a large number of receptors are described. Thus, in this work, we selected drug-target pairs (DTPs/nDTPs) high affinity/nonaffinity for targets. Quantitative structure-activity relationship (QSAR) models become useful tool context because they substantially reduce time and resource-consuming experiments. Unfortunately, most QSAR predict activity against only one protein target and/or have not been implemented on public Web server yet, freely...
On the basis of N-((5-(3-(1-benzylpiperidin-4-yl)propoxy)-1-methyl-1H-indol-2-yl)methyl)-N-methylprop-2-yn-1-amine (II, ASS234) and QSAR predictions, in this work we have designed, synthesized, evaluated a number new indole derivatives from which identified N-methyl-N-((1-methyl-5-(3-(1-(2-methylbenzyl)piperidin-4-yl)propoxy)-1H-indol-2-yl)methyl)prop-2-yn-1-amine (2, MBA236) as cholinesterase monoamine oxidase dual inhibitor.
3-Acetyl-2,5-diaryl-2,3-dihydro-1,3,4-oxadiazoles were designed, synthesized, and tested as inhibitors against human monoamine oxidase (MAO) A B isoforms. Several compounds, obtained racemates, identified selective MAO-B inhibitors. The enantiomers of some derivatives separated by enantioselective HPLC tested. R-enantiomers always showed the highest activity. Docking study molecular dynamic simulations demonstrated putative binding mode. We conclude that these 1,3,4-oxadiazoles are promising...