A5087406639- Receptor Mechanisms and Signaling
- Supramolecular Chemistry and Complexes
- Nicotinic Acetylcholine Receptors Study
- Neurotransmitter Receptor Influence on Behavior
- Synthesis and Biological Evaluation
- Chemical Reaction Mechanisms
- Diet and metabolism studies
- Molecular Sensors and Ion Detection
- Cyclopropane Reaction Mechanisms
- Electrochemical sensors and biosensors
- Crystallization and Solubility Studies
- Crystallography and molecular interactions
- Amino Acid Enzymes and Metabolism
- Computational Drug Discovery Methods
- Biochemical Acid Research Studies
- Electron Spin Resonance Studies
- Porphyrin and Phthalocyanine Chemistry
- Neonatal Health and Biochemistry
- Mitochondrial Function and Pathology
- X-ray Diffraction in Crystallography
- Pharmacological Receptor Mechanisms and Effects
- Stress Responses and Cortisol
- Neuroscience and Neuropharmacology Research
- Luminescence and Fluorescent Materials
- Metal complexes synthesis and properties
Pontificia Universidad Católica de Chile
2016-2025
Faculty (United Kingdom)
2017-2018
Rede de Química e Tecnologia
2017
University of Chile
2005-2014
Universidad de Santiago de Chile
2001-2013
Millennium Institute for Integrative Biology
2009-2013
Purdue University West Lafayette
2005
University of Concepción
1995
Recent evidence has raised in discussion the possibility that cannabidiol can act as a negative allosteric modulator of cannabinoid type 1 receptor. Here we have used computational methods to study modulation exerted by on effects delta-9-tetrahydrocannabinol receptor and direct blockade. We propose putative binding site is located N-terminal region receptor, partially overlapping orthosteric site. Molecular dynamics simulations reveled coordinated movement involving outward rotation helixes...
A series of phenethylamine derivatives with various ring substituents and or without N-methyl and/or C-α methyl ethyl groups was synthesized assayed for their ability reversibly to inhibit monoamine oxidase (MAO-A) B (MAO-B). Several compounds showed potent selective MAO-A inhibitory activity (IC50 in the submicromolar range) but none appreciable toward MAO-B. three-dimensional quantitative structure−activity relationship study inhibition performed on using comparative molecular field...
A series of chalcones and aurones were synthesized evaluated in vitro as monoamine oxidase inhibitors (MAOi). Our results show that aurones, which had not been previously reported MAOi, are MAO-B inhibitors. Thus, both families inhibited selectively the B isoform MAO micromolar range, offering novel scaffolds for design new potent The main structural requirements their activity characterized with aid 3D-QSAR docking studies.
Nicotinic acetylcholine receptors are a family of ligand-gated nonselective cationic channels that participate in fundamental physiological processes at both the central and peripheral nervous system. The extent calcium entry through ion defines their distinct functions. α9α10 nicotinic cholinergic receptor, expressed cochlear hair cells, is peculiar member as it shows differences permeability across species. In particular, mammalian among which exhibit highest selectivity. This acquired...
Two of the possible catalytic mechanisms for neurotransmitter oxidative deamination by monoamine oxidase B (MAO B), namely, polar nucleophilic and hydride transfer, were addressed in order to comprehend nature their rate-determining step. The Quantum Chemical Cluster Approach was used obtain transition states MAO complexed with phenylethylamine (PEA), benzylamine (BA), p-nitrobenzylamine (NBA). choice these amines relies on importance address so as help us answer questions such why BA is a...
Substituted amino-piperazine derivatives were synthesized and used as precursors for the preparation of a series new organometallic Re(i) imine complexes with general formula [(η5-C5H4CH[double bond, length m-dash]N-(CH2)5-Pz-R)Re(CO)3] (Pz-R: -alkyl or aryl piperazine). The piperazine-based ligands designed to be potential inhibitors GSK-3β kinase. All fully characterized evaluated against HT-29 PT-45 cancer cell lines, in which plays crucial role. In this context, we carried out biological...
Fourteen coumarin-derived compounds modified at the C3 carbon of coumarin with an α,β-unsaturated ketone were synthesized. These may be designated as chalcocoumarins (3-cinnamoyl-2H-chromen-2-ones). Both chalcones and coumarins are recognized scaffolds in medicinal chemistry, showing diverse biological pharmacological properties among which neuroprotective activities multiple enzyme inhibition, including mitochondrial systems, stand out. The evaluation monoamine oxidase B (MAO-B) inhibitors...
The adhesion of initial colonizers such as Streptococcus mutans to collagen is critical for dentinal and root caries progression. One the most described pathological aging-associated changes in collagen—including collagen—is generation advanced glycation end-products (AGEs) methylglyoxal (MGO)–derived AGEs. Despite previous reports suggesting that AGEs alter bacterial collagen, biophysics driving oral streptococcal attachment MGO-modified remains largely understudied. Thus, aim this work was...
A better comprehension on how different molecular components of the serotonergic system contribute to adequate regulation behaviors in animals is essential interpretation they are involved neuropsychiatric and pathological disorders. It possible study these "simpler" animal models including fly Drosophila melanogaster, given that most conserved between vertebrates invertebrates. Here we decided advance our understanding serotonin plasma membrane transporter (SERT) contributes...
Supramolecular control of singlet oxygen generation is incredibly valuable for several fields with broad applications and thus still challenging. However, macrocyclic inclusion complexes inherently restrict the interaction photosensitizers surrounding in media. To circumvent this issue, we turned our attention work to acyclic cucurbituril-like containers uncover their properties as supramolecular hosts extraordinary photophysics, including generation. Thermodynamic photophysical studies were...
Abstract Force transmission through adherens junctions (AJs) is crucial for multicellular organization, wound healing and tissue regeneration. Recent studies shed light on the molecular mechanisms of mechanotransduction at AJs. However, canonical model fails to explain force when essential proteins module are mutated or missing. Here, we demonstrate that, in absence α-catenin, β-catenin can directly functionally interact with vinculin its open conformation, bearing physiological forces....
The recent description of the crystal structures rat MAO-A and human MAO-B provides an unprecedented framework to elucidate mechanisms underlying selective interactions between these proteins their ligands. analysis previous emerging data, in light structural similarities differences both isozymes, allows a better understanding requirements that determine affinity selectivity substrates inhibitors. This augurs new impulse for rational design potent MAO inhibitors with therapeutic potential....
Cyrhetrenyl aldehyde derivatives [(η5-C5H4CHO)Re(CO)2PR3] with R = methyl (Me, 2a), phenyl (Ph, 2b), and cyclohexyl (Cy, 2c) were synthesized by a photochemical reaction from the starting material [(η5-C5H4CHO)Re(CO)3] (1) corresponding phosphines. The complexes fully characterized FT-IR, 1H, 13C 31P NMR spectroscopy, elemental analysis mass spectrometry. molecular structures of 2a-c have also been determined. Electronic structure calculations TD-DFT electrochemical studies are in sound...
The Smoothened (SMO) receptor is the most druggable target in Hedgehog (HH) pathway for anticancer compounds. However, SMO antagonists such as vismodegib rapidly develop drug resistance. In this study, new having versatile purine ring a scaffold were designed, synthesised, and biologically tested to provide an insight their mechanism of action. Compound 4s was active best inhibitor cell growth selectively cytotoxic cancer cells. induced cycle arrest, apoptosis, reduction colony formation...