Search Results - "Nicolás Vazquez, María Inés"
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In Silico Study of Novel Cyclodextrin Inclusion Complexes of Polycaprolactone and Its Correlation with Skin Regeneration
Published in International journal of molecular sciences (18-05-2023)“…Three novel biomaterials obtained via inclusion complexes of β-cyclodextrin, 6-deoxi-6-amino-β-cyclodextrin and epithelial growth factor grafted to…”
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2
Phenomenological study of the synthesis of pure anhydrous β-lactose in alcoholic solution
Published in Food chemistry (15-03-2021)“…•The inter-conversion of monohydrate α-lactose into anhydrous β-lactose was archived.•The morphology of α-lactose powders changes from fine needles to…”
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3
Reinvestigation of Acetophenones Oxidation by Performic Acid in Formic Acid
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (14-03-2019)“…The Baeyer–Villiger (BV) reaction of acetophenones R-COCH3 (R = phenyl, 4-methylphenyl, 3,4-dimethoxyphenyl) with performic acid (PFA) in formic acid (FA) as…”
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4
The Ability of Chlorophyll to Trap Carcinogen Aflatoxin B1: A Theoretical Approach
Published in International journal of molecular sciences (28-05-2022)“…The coordination of one and two aflatoxin B1 (AFB1, a potent carcinogen) molecules with chlorophyll a (chl a) was studied at a theoretical level. Calculations…”
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5
Can (S)‐Stereoisomers of Perezone and Its Derivatives Show Similar Activity to Its (R)‐Stereoisomers? A Computational Characterization and Docking Study
Published in ChemistrySelect (Weinheim) (27-10-2021)“…Asymmetric synthesis, in particular enantioselectivity, has permitted the assembly of complex molecules; consequently, many clinical trials are going on to…”
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Computational Characterization of Perezone, Isoperezone and their Sulfur‐Derivatives: Anti‐inflammatory Activity
Published in ChemistrySelect (Weinheim) (06-12-2019)“…Using DFT and in silico methods a theoretical study, to verify the spectroscopically characterization, this in addition to determine the anti‐inflammatory…”
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A DFT Study of the Geometrical, Spectroscopical and Reactivity Properties of Diindolylmethane-Phenylboronic Acid Hybrids
Published in Molecules (Basel, Switzerland) (17-10-2017)“…The structure of the -, - and - hybrid diindolylmethane-phenylboronic acids and their interactions were optimized with by a quantum chemical method, using…”
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In vitro and computational studies of natural products related to perezone as anti-neoplastic agents
Published in Biochimie (01-04-2020)“…Many natural phyto-products as perezone (Per) exhibit anti-cancer activities. Using experimental and computational studies, it was described that Poly…”
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Multivitamin complex-loaded electrospun polyvinyl alcohol core/shell structure fibers for transdermal delivery system: In-silico and experimental studies
Published in Journal of drug delivery science and technology (01-02-2024)“…Transdermal delivery systems offer a controlled and targeted environment for releasing drugs compared to other delivery systems. This study presents the…”
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A Theoretical Study of the Adsorption Process of B-aflatoxins Using Pyracantha koidzumii (Hayata) Rehder Biomasses
Published in Toxins (28-04-2020)“…Employing theoretical calculations with density functional theory (DFT) using the B3LYP/6-311++G(d,p) functional and basis set, the interaction of the…”
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11
Virtual and In Vitro Screens Reveal a Potential Pharmacophore that Avoids the Fibrillization of Aβ1-42
Published in PloS one (14-07-2015)“…Among the multiple factors that induce Alzheimer's disease, aggregation of the amyloid β peptide (Aβ) is considered the most important due to the ability of…”
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12
Dihydroergotamine Increases Histamine Brain Levels and Improves Memory in a Scopolamine-Induced Amnesia Model
Published in International journal of molecular sciences (01-04-2024)“…The beneficial effects of increasing histamine levels on memory have acquired special interest due to their applicability to psychiatric conditions that cause…”
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13
Computational Studies of Aflatoxin B1 (AFB1): A Review
Published in Toxins (07-02-2023)“…Aflatoxin B1 (AFB1) exhibits the most potent mutagenic and carcinogenic activity among aflatoxins. For this reason, AFB1 is recognized as a human group 1…”
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14
Drug Repurposing to Inhibit Histamine N -Methyl Transferase
Published in Molecules (Basel, Switzerland) (06-01-2023)“…Lower activity of the histaminergic system is associated with neurological disorders, including Alzheimer's disease (AD). Thus, the enhancement of…”
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15
Synthesis, Cytotoxic Activity and In Silico Study of Novel Dihydropyridine Carboxylic Acids Derivatives
Published in International journal of molecular sciences (01-10-2023)“…To aid the possible prevention of multidrug resistance in tumors and cause lower toxicity, a set of sixteen novel dihydropyridine carboxylic acids derivatives…”
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Design of Two New Sulfur Derivatives of Perezone: In Silico Study Simulation Targeting PARP-1 and In Vitro Study Validation Using Cancer Cell Lines
Published in International journal of molecular sciences (01-01-2024)“…Poly-ADP-Ribose Polymerase (PARP-1) is an overexpressed enzyme in several carcinomas; consequently, the design of PARP-1 inhibitors has acquired special…”
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Validation by Molecular Dynamics of the Major Components of Sugarcane Vinasse, On a Surface of Calcium Carbonate (Calcite)
Published in Molecules (Basel, Switzerland) (18-04-2021)“…There is ongoing interest in the alcohol industry to significantly reduce and/or add value to the liquid residue, vinasse, produced after the distillation and…”
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18
Inhibition of Astrocytic Histamine N -Methyltransferase as a Possible Target for the Treatment of Alzheimer's Disease
Published in Biomolecules (Basel, Switzerland) (26-09-2021)“…Alzheimer's disease (AD) represents the principal cause of dementia among the elderly. Great efforts have been established to understand the physiopathology of…”
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Green Production of Indolylquinones, Derivatives of Perezone, and Related Molecules, Promising Antineoplastic Compounds
Published in Journal of chemistry (01-01-2016)“…A green approach to produce the indolyl derivatives from four natural quinones (perezone, isoperezone, menadione, and plumbagin) was performed; in this regard,…”
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Palbociclib (PD 0332991) Interaction with Kinases. Theoretical and Comparative Molecular Docking Study
Published in Chemistry & biodiversity (01-03-2023)“…The optimized geometry of palbociclib, (PD 0332991)…”
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