Search Results - "Rodríguez, Maricarmen Hernández"
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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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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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Current Tools and Methods in Molecular Dynamics (MD) Simulations for Drug Design
Published in Current medicinal chemistry (01-10-2016)“…Molecular Dynamics (MD) simulations is a computational method that employs Newton's laws to evaluate the motions of water, ions, small molecules, and…”
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Chronic Administration of Scopolamine Increased GSK3βP9, Beta Secretase, Amyloid Beta, and Oxidative Stress in the Hippocampus of Wistar Rats
Published in Molecular neurobiology (01-09-2020)“…The increase of amyloid beta (Aβ) release and hyperphosphorylation of Tau protein represents the main events related to Alzheimer’s disease (AD). Furthermore,…”
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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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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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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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In Vitro and Computational Studies of Perezone and Perezone Angelate as Potential Anti-Glioblastoma Multiforme Agents
Published in Molecules (Basel, Switzerland) (26-02-2022)“…Glioblastoma multiforme (GBM) represents the most malignant type of astrocytoma, with a life expectancy of two years. It has been shown that Poly (ADP-ribose)…”
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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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Tert-butyl-(4-hydroxy-3-((3-(2-methylpiperidin-yl)propyl)carbamoyl)phenyl)carbamate Has Moderated Protective Activity in Astrocytes Stimulated with Amyloid Beta 1-42 and in a Scopolamine Model
Published in Molecules (Basel, Switzerland) (29-10-2020)“…Alzheimer's disease (AD) is a neurodegenerative disease with no cure nowadays; there is no treatment either to prevent or to stop its progression. In vitro…”
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In silico and in vitro studies to elucidate the role of Cu2+ and galanthamine as the limiting step in the amyloid beta (1–42) fibrillation process
Published in Protein science (01-10-2013)“…The formation of fibrils and oligomers of amyloid beta (Aβ) with 42 amino acid residues (Aβ1–42) is the most important pathophysiological event associated with…”
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Mapping myeloperoxidase to identify its promiscuity properties using docking and molecular dynamics simulations
Published in Current pharmaceutical design (2013)“…Myeloperoxidase (MPO) is the most abundant heme protein in neutrophils, and MPO catalyzes hypochlorous acid (HOCl) formation. MPO inhibitors (MPOis) can be…”
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Asp32 and Asp228 determine the selective inhibition of BACE1 as shown by docking and molecular dynamics simulations
Published in European journal of medicinal chemistry (29-11-2016)“…Inhibition of β-site amyloid–β-protein precursor cleaving enzyme 1 (BACE1) represents a promising approach for the treatment of Alzheimer's disease (AD)…”
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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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In vitro and computational studies showed that perezone inhibits PARP-1 and induces changes in the redox state of K562 cells
Published in Archives of biochemistry and biophysics (15-08-2019)“…Cancer is one of the leading causes of morbidity and mortality worldwide. This disease is characterized by uncontrolled growth and proliferation of abnormal…”
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Fucosterol from Sargassum horridum as an amyloid-beta (Aβ1-42) aggregation inhibitor: in vitro and in silico studies
Published in Journal of biomolecular structure & dynamics (04-03-2021)“…The number of patients diagnosed with Alzheimer's disease (AD) increases each year, and there are currently few treatment strategies to decrease the symptoms…”
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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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In Vitro Effect of H2O2, Some Transition Metals and Hydroxyl Radical Produced Via Fenton and Fenton-Like Reactions, on the Catalytic Activity of AChE and the Hydrolysis of ACh
Published in Neurochemical research (01-11-2014)“…It is well known that the principal biomolecules involved in Alzheimer’s disease (AD) are acetylcholinesterase (AChE), acetylcholine (ACh) and the amyloid beta…”
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Computational Design and Experimental Evaluation of Novel Perezone Derivates as Anticancer Agents
Published in The FASEB journal (01-04-2018)“…Cancer is one of the leading causes of morbidity and mortality worldwide. The disease is characterized by uncontrolled growth and proliferation of abnormal…”
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