A5000063596- Computational Drug Discovery Methods
- Advanced Chemical Physics Studies
- Chemical Reaction Mechanisms
- Free Radicals and Antioxidants
- Organic Chemistry Cycloaddition Reactions
- Analytical Chemistry and Chromatography
- Catalysis and Oxidation Reactions
- Receptor Mechanisms and Signaling
- Synthesis and biological activity
- Protein Structure and Dynamics
- Various Chemistry Research Topics
- Biodiesel Production and Applications
- Analytical chemistry methods development
- Enzyme Catalysis and Immobilization
- Photochemistry and Electron Transfer Studies
- Neuroendocrine regulation and behavior
- Plant biochemistry and biosynthesis
- Advanced Cellulose Research Studies
- Molecular Spectroscopy and Structure
- GDF15 and Related Biomarkers
- Histone Deacetylase Inhibitors Research
- Cholinesterase and Neurodegenerative Diseases
- Crystallography and molecular interactions
- Wnt/β-catenin signaling in development and cancer
- GABA and Rice Research
Universidad del Papaloapan
2010-2020
Masaryk University
2005-2010
Universidad Nacional Autónoma de México
1999-2008
Hybrid organic-inorganic materials based on cellulose matrix and silica particles are obtained from wastes of the local paper recycling mill sugarcane as renewable secondary raw materials. The performance comparison these hybrid made against pure, sources is discussed. Fourier transform infrared spectra show that features prevail even at 43 wt% nanoparticles in Such a high content originated bagasse ash hollow glass microspheres contributes to thermal stability final composites, seen by...
Hybrid bionanocomposites based on cellulose matrix, with silica nanoparticles as reinforcers, were prepared by one-pot synthesis of surface modified solvent exchange method to keep the biopolymer net void for hosting inorganic nanoparticles. Neither expensive inorganic-particle precursors nor crosslinker agents or catalysts used effective dispersion reinforcer concentration up 50 wt %. Scanning electron microscopy nanocomposites shows homogeneous reinforcers in matrix. The FTIR spectra...
Vaptans are compounds that act as non-peptide vasopressin receptor antagonists. These have diverse chemical structures. In this study, we used a combined approach of protein folding, molecular dynamics simulations, docking, and quantitative structure-activity relationship (QSAR) to elucidate the detailed interaction V1a (V1aR) with some its blockers (134). QSAR studies were performed using MLR analysis gathered into one group perform an artificial neural network (ANN) analysis. For each...
Several non-peptide heterocyclic compounds reported as potent thrombin inhibitors in vitro were chosen to carry out a QSAR study upon them using MLR and ANN analysis. In order identify the best models, input for consisted of those subsets descriptors used models. The models contained SIC0 descriptor main topological descriptor. To physical chemical properties involved ligand–thrombin complexes, an automated ligand-flexible docking procedure was used. results suggest that inhibition by these...
Quantitative Structure–Activity Relationship studies were performed to describe and predict the antispasmodic activity of some molecules isolated from Mexican Medicinal Flora as well for synthetic ones based on stilbenoid bioisosteres. The relaxant these was taken experiments rat guinea‐pig ileum tissues. Given that there is evidence species‐specific effects, two data sets proposed, one other ileum. These statistically treated in order find a model could corresponding biological models....
Quantitative structure–activity relationship studies were performed to describe and predict the antinociceptive activity of 31 morphinan derivatives reported by US Drug Evaluation Committee in 2005 2006. From these, three data sets constructed several models calculated following multiple linear regression Leave‐One‐Out Cross‐Validation (LOO‐CV) tests. In general, these achieved good descriptive power (approximately 92%) as well predictive 76%), but unable an external validation set...
One hundred and six morphinan derivatives were taken from the Drug Evaluation Committee reports to propose several quantitative structure–activity relationship models describe μ‐receptor‐binding affinity. After procedures reduce descriptor number, 21 descriptors selected for pool by a complete Multiple Linear Regression methodology. In this procedure only three molecules considered as outliers. Several tests changing relation between training:predicted sets find best these sets. The higher...
Background: Histone deacetylase 8 (HDAC8) is a plausible target for the development of novel anticancer drugs using metal-chelating group and hydrophobic moieties as pharmacophores. It known that valproic acid (administered its salt, sodium valproate; VPANa+) an HDAC8 inhibitor characterized by chains. Nevertheless, VPA hepatotoxic analogues might be explored less antiproliferative compounds. Keywords: Docking studies, QSAR Artificial Neuron Network, Anticancer test, 2D-BCUT descriptors, derivatives.
S14G-humanin (S14G-HN) is one of the latest a new family neuropeptides with protective action against Alzheimers disease insults. The structure S14G-HN was studied both spectroscopic techniques and molecular dynamics simulation. Secondary predictions modeling backbone conformation were carried out. Side chain reconstruction, homology (MD) simulations performed on four different models. A beta strand tendency in residues 5 to 10 propensity adopt turn or irregular 13 17 found. Circular...
ADVERTISEMENT RETURN TO ISSUEPREVCommunicationNEXTBiofuel Obtained from Transesterification by Combined CatalysisManuel F. Rubio-Arroyo*†, Miguel A. Ayona-Argueta†, Martha Poisot‡, and Guillermo Ramírez-Galicia‡View Author Information Instituto de Química, Universidad Nacional Autónoma México, Circuito Exterior Ciudad Universitaria, 04510, Coyoacan, Mexico DF, Mexico, del Papaloapan, Central 200, Parque Industrial, 68301, Tuxtepec, Oaxaca, Mexico* To whom correspondence should be addressed....
In our ongoing search for renewable energy, a study on the fermentation of starch contained in sorghum and cassava was devel- oped with addition commercial yeast bio-ethanol production. The optimal reaction conditions hydrolysis were determined to obtain maximum amount fermentable sugars. addition, sugar concentration time production found. Under applied conditions, efficiency is higher than that
<p>A capillary electrophoretic method for the chiral separation of 3-chiral-1,4-benzodiazepines was developed. Enantiomeric resolution oxazepam, lorazepam, temazepam, and lormetazepam achieved using sulfated cyclodextrins (CD's) as selectors. A 3-levels, 4-factors fractional factorial (34-2) design applied to test 3 different CD's: heptakis-6-sulfato--cyclodextrin (HSCD), heptakis-(2,3-diacetyl-6-sulfato)--cyclodextrin (HDASCD), heptakis-(2,3-dimethyl-6-sulfato)--cyclodextrin (HDMSCD)....
Abstract Laser desorption/ionisation and laser ablation of solid selenium trioxide, as well the gas‐phase behaviour were studied. Selenium trioxide undergoes photochemical decomposition and, from mass spectra obtained by time‐of‐flight spectrometry (LDI‐TOF‐MS), following species identified: O − , SeO Se 2 3 4 . Formation superoxide anion is described in this work for first time. In addition, low‐abundance such 8 H 11 15 also detected. The stoichiometry all ions was confirmed via isotopic...