M. Rosales-Hernández

发表

Homology modeling and molecular dynamics of CYP1A1 and CYP2B1 to explore the metabolism of aryl derivatives by docking and experimental assays.

M. Rosales-Hernández, J. Mendieta-Wejebe, J. Trujillo-Ferrara, 2010, European journal of medicinal chemistry.

In silico methods to assist drug developers in acetylcholinesterase inhibitor design.

M. Rosales-Hernández, J. Trujillo-Ferrara, J. Correa-Basurto, 2011, Current medicinal chemistry.

o-Alkylselenenylated benzoic acid accesses several sites in serum albumin according to fluorescence studies, Raman spectroscopy and theoretical simulations.

M. Rosales-Hernández, J. Trujillo-Ferrara, J. Correa-Basurto, 2013, Protein and peptide letters.

Molecular modeling used to evaluate CYP2C9-dependent metabolism: homology modeling, molecular dynamics and docking simulations.

M. Rosales-Hernández, J. Mendieta-Wejebe, J. Correa-Basurto, 2011, Current drug metabolism.

Hydroxamic acid derivatives as HDAC1, HDAC6 and HDAC8 inhibitors with antiproliferative activity in cancer cell lines

M. Rosales-Hernández, J. Correa-Basurto, M. Bello, 2020, Scientific Reports.

Current Tools and Methods in Molecular Dynamics (MD) Simulations for Drug Design.

M. Rosales-Hernández, J. Mendieta-Wejebe, M. Martínez-Archundia, 2016, Current medicinal chemistry.

Asp32 and Asp228 determine the selective inhibition of BACE1 as shown by docking and molecular dynamics simulations.

M. Rosales-Hernández, J. Correa-Basurto, A. Gutiérrez, 2016, European journal of medicinal chemistry.

Pharmacokinetics and tissue distribution of N‐(2‐hydroxyphenyl)‐2‐propylpentanamide in Wistar Rats and its binding properties to human serum albumin

M. Rosales-Hernández, J. Mendieta-Wejebe, J. Correa-Basurto, 2019, Journal of pharmaceutical and biomedical analysis.

Comparing the electronic properties and docking calculations of heme derivatives on CYP2B4

M. Rosales-Hernández, J. Mendieta-Wejebe, J. Trujillo-Ferrara, 2008, Journal of molecular modeling.

Dihydropyrazole-Carbohydrazide Derivatives with Dual Activity as Antioxidant and Anti-Proliferative Drugs on Breast Cancer Targeting the HDAC6

M. Rosales-Hernández, J. Mendieta-Wejebe, J. Correa-Basurto, 2022, Pharmaceuticals.

Molecular modeling and LC–MS-based metabolomics of a glutamine-valproic acid (Gln-VPA) derivative on HeLa cells

M. Rosales-Hernández, J. Correa-Basurto, M. J. Fragoso-Vázquez, 2020, Molecular Diversity.

N-(2′-Hydroxyphenyl)-2-propylpentanamide (OH-VPA), a histone deacetylase inhibitor, induces the release of nuclear HMGB1 and modifies ROS levels in HeLa cells

M. Rosales-Hernández, J. Mendieta-Wejebe, J. Correa-Basurto, 2018, Oncotarget.

Docking and DFT Studies to explore the Topoisomerase II ATP Pocket employing 3-Substituted 2,6-Piperazindiones for drug design

M. Rosales-Hernández, J. Trujillo-Ferrara, J. Correa-Basurto, 2012 .

Exploration of human serum albumin binding sites by docking and molecular dynamics flexible ligand-protein interactions.

M. Rosales-Hernández, J. Correa-Basurto, O. Deeb, 2010, Biopolymers.

Untargeted LC-MS/MS Metabolomics Study on the MCF-7 Cell Line in the Presence of Valproic Acid

M. Rosales-Hernández, J. Correa-Basurto, A. Estrada-Pérez, 2022, International journal of molecular sciences.

Exploring the biotransformation of N‐(2‐hydroxyphenyl)‐2‐propylpentanamide (an aryl valproic acid derivative) by CYP2C11, using in silico predictions and in vitro studies

M. Rosales-Hernández, J. Mendieta-Wejebe, J. Correa-Basurto, 2020, The Journal of pharmacy and pharmacology.

Comparison of the effect of chronic cadmium exposure on the antioxidant defense systems of kidney and brain in rat

M. Rosales-Hernández, J. Mendieta-Wejebe, J. Trujillo-Ferrara, 2013, Toxicology mechanisms and methods.

Caloric restriction increases free radicals and inducible nitric oxide synthase expression in mice infected with Salmonella Typhimurium.

M. Rosales-Hernández, J. Trujillo-Ferrara, R. Campos-Rodríguez, 2011, Bioscience reports.

Electron paramagnetic resonance analyses of biotransformation reactions with cytochrome P-450 immobilized on mesoporous molecular sieves

M. Rosales-Hernández, J. Trujillo-Ferrara, R. Zamorano-ulloa, 2007, Biotechnology Letters.

Estrous cycle phase affects myocardial infarction through reactive oxygen species and nitric oxide.

M. Rosales-Hernández, Diana Ramirez-Hernandez, P. López-Sánchez, 2021, Frontiers in bioscience.

Searching the conformational complexity and binding properties of HDAC6 through docking and molecular dynamic simulations

M. Rosales-Hernández, J. Correa-Basurto, M. Bello, 2017, Journal of biomolecular structure & dynamics.

LC–MS Based Lipidomics Depict Phosphatidylethanolamine as Biomarkers of TNBC MDA-MB-231 over nTNBC MCF-7 Cells

M. Rosales-Hernández, J. Correa-Basurto, A. Estrada-Pérez, 2022, International journal of molecular sciences.

QSAR, docking, dynamic simulation and quantum mechanics studies to explore the recognition properties of cholinesterase binding sites.

M. Rosales-Hernández, J. Trujillo-Ferrara, J. Correa-Basurto, 2014, Chemico-biological interactions.

Targeting Several Biologically Reported Targets of Glioblastoma Multiforme by Assaying 2D and 3D Cultured Cells

M. Rosales-Hernández, J. Correa-Basurto, Y. Sixto-López, 2021, Cellular and Molecular Neurobiology.

Myeloperoxidase Inhibitory and Antioxidant Activities of (E)-2-Hydroxy-α-aminocinnamic Acids Obtained through Microwave-Assisted Synthesis

M. Rosales-Hernández, J. Mendieta-Wejebe, J. Correa-Basurto, 2021, Pharmaceuticals.

New compounds from heterocyclic amines scaffold with multitarget inhibitory activity on Aβ aggregation, AChE, and BACE1 in the Alzheimer disease

M. Rosales-Hernández, J. Correa-Basurto, I. Padilla-Martínez, 2022, PloS one.

Design of multi-target compounds as AChE, BACE1, and amyloid-β(1-42) oligomerization inhibitors: in silico and in vitro studies.

M. Rosales-Hernández, J. Correa-Basurto, F. Martı́nez-Ramos, 2014, Journal of Alzheimer's disease : JAD.

13C-NMR Chemical Shifts in 1,3-Benzazoles as a Tautomeric Ratio Criterion

M. Rosales-Hernández, I. Padilla-Martínez, E. García-Báez, 2022, Molecules.

Synthesis and Biological Importance of 2-(thio)ureabenzothiazoles

M. Rosales-Hernández, J. Mendieta-Wejebe, I. Padilla-Martínez, 2022, Molecules.

Evaluation of a new benzothiazole derivative with antioxidant activity in the initial phase of acetaminophen toxicity

M. Rosales-Hernández, J. Mendieta-Wejebe, F. Tamay-Cach, 2016 .

Anti-breast cancer activity of novel compounds loaded in polymeric mixed micelles: Characterization and in vitro studies

M. Rosales-Hernández, J. Correa-Basurto, X. Marcos, 2021, Journal of Drug Delivery Science and Technology.

Controlled release of N-(2-hydroxyphenyl)-2-propylpentanamide nanoencapsulated in polymeric micelles of P123 and F127 tested as anti-proliferative agents in MDA-MB-231 cells

M. Rosales-Hernández, J. Correa-Basurto, X. Marcos, 2018, Journal of Drug Delivery Science and Technology.

Fucosterol from Sargassum horridum as an amyloid-beta (Aβ1-42) aggregation inhibitor: in vitro and in silico studies

M. Rosales-Hernández, J. Correa-Basurto, M. Bello, 2020, Journal of biomolecular structure & dynamics.

In vitro and in silico evaluation of fucosterol from Sargassum horridum as potential human acetylcholinesterase inhibitor

M. Rosales-Hernández, J. Correa-Basurto, M. Bello, 2018, Journal of biomolecular structure & dynamics.

Identification and evaluation of boronic compounds ameliorating cognitive deficit in orchiectomized rats.

M. Rosales-Hernández, M. Soriano-Ursúa, E. Farfán-García, 2022, Journal of trace elements in medicine and biology : organ of the Society for Minerals and Trace Elements.

Oenothera rosea L´Hér. ex Ait attenuates acute colonic inflammation in TNBS-induced colitis model in rats: in vivo and in silico myeloperoxidase role.

M. Rosales-Hernández, J. Correa-Basurto, M. Martínez-Archundia, 2018, Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie.

Chronic Administration of Scopolamine Increased GSK3βP9, Beta Secretase, Amyloid Beta, and Oxidative Stress in the Hippocampus of Wistar Rats

M. Rosales-Hernández, J. Correa-Basurto, M. Hernández-Rodríguez, 2020, Molecular Neurobiology.

Neuroprotective Effects of Apocynin and Galantamine During the Chronic Administration of Scopolamine in an Alzheimer’s Disease Model

M. Rosales-Hernández, J. Correa-Basurto, M. Torres-Ramos, 2019, Journal of Molecular Neuroscience.

Preclinical Pharmacokinetics and Acute Toxicity in Rats of 5-{[(2E)-3-Bromo-3-carboxyprop-2-enoyl]amino}-2-hydroxybenzoic Acid: A Novel 5-Aminosalicylic Acid Derivative with Potent Anti-Inflammatory Activity

M. Rosales-Hernández, J. Mendieta-Wejebe, J. Correa-Basurto, 2021, Molecules.

Implication of Nicotinamide Adenine Dinucleotide Phosphate (NADPH) Oxidase and Its Inhibitors in Alzheimer’s Disease Murine Models

M. Rosales-Hernández, J. Correa-Basurto, Leticia Guadalupe Fragoso-Morales, 2021, Antioxidants.

Repurposing FDA Drug Compounds against Breast Cancer by Targeting EGFR/HER2

M. Rosales-Hernández, M. Bello, I. Padilla-Martínez, 2021, Pharmaceuticals.

Monoamines and their derivatives on GPCRs: potential therapy for Alzheimer's Disease.

M. Rosales-Hernández, M. Soriano-Ursúa, R. Pinto-Almazán, 2019, Current Alzheimer research.

2-Acetyl-4-aminoresorcinol derivatives: synthesis, antioxidant activity and molecular docking studies

M. Rosales-Hernández, F. Martı́nez-Ramos, Yadira Fonseca-Sabater, 2018, Medicinal Chemistry Research.

Cucurbitacin I elicits the formation of actin/phospho-myosin II co-aggregates by stimulation of the RhoA/ROCK pathway and inhibition of LIM-kinase.

M. Rosales-Hernández, P. Curmi, G. Bollot, 2016, Biochemical pharmacology.

DNA methylation of the RE-1 silencing transcription factor in peripheral blood mononuclear cells and gene expression of antioxidant enzyme in patients with late-onset Alzheimer disease

M. Rosales-Hernández, J. Correa-Basurto, Y. Sixto-López, 2020, Experimental Gerontology.

Cytotoxic evaluation of YSL-109 in a triple negative breast cancer cell line and toxicological evaluations

M. Rosales-Hernández, J. Correa-Basurto, Y. Sixto-López, 2023, Naunyn-Schmiedeberg's Archives of Pharmacology.

Aromatic Regions Govern the Recognition of NADPH Oxidase Inhibitors as Diapocynin and its Analogues

M. Rosales-Hernández, J. Correa-Basurto, M. J. Fragoso-Vázquez, 2017, Archiv der Pharmazie.

Anti-inflammatory effect and inhibition of nitric oxide production by targeting COXs and iNOS enzymes with the 1,2-diphenylbenzimidazole pharmacophore.

M. Rosales-Hernández, C. Gómez-Castro, I. Padilla-Martínez, 2020, Bioorganic & medicinal chemistry.

Mapping myeloperoxidase to identify its promiscuity properties using docking and molecular dynamics simulations.

José Correa-Basurto, M. Rosales-Hernández, J. Mendieta-Wejebe, 2013, Current pharmaceutical design.

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

M. Rosales-Hernández, J. Mendieta-Wejebe, J. Correa-Basurto, 2014, Neurochemical Research.

Exploration of the valproic acid binding site on histone deacetylase 8 using docking and molecular dynamic simulations

M. Rosales-Hernández, J. Trujillo-Ferrara, J. Correa-Basurto, 2012, Journal of Molecular Modeling.

Theoretical study of heme derivatives under DFT calculations

M. Rosales-Hernández, J. Trujillo-Ferrara, J. Correa-Basurto, 2007 .

Virtual and In Vitro Screens Reveal a Potential Pharmacophore that Avoids the Fibrillization of Aβ1–42

M. Rosales-Hernández, J. Correa-Basurto, M. Hernández-Rodríguez, 2015, PloS one.

Synthesis, In Silico, and Biological Evaluation of a Borinic Tryptophan-Derivative That Induces Melatonin-like Amelioration of Cognitive Deficit in Male Rat

M. Rosales-Hernández, J. Trujillo-Ferrara, M. Soriano-Ursúa, 2022, International journal of molecular sciences.

N-(2′-Hydroxyphenyl)-2-Propylpentanamide (HO-AAVPA) Inhibits HDAC1 and Increases the Translocation of HMGB1 Levels in Human Cervical Cancer Cells

M. Rosales-Hernández, J. Mendieta-Wejebe, J. Correa-Basurto, 2020, International journal of molecular sciences.

PAMAM-G4 protect the N-(2-hydroxyphenyl)-2-propylpentanamide (HO-AAVPA) and maintain its antiproliferative effects on MCF-7

M. Rosales-Hernández, J. Correa-Basurto, M. J. Fragoso-Vázquez, 2023, Scientific Reports.

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

M. Rosales-Hernández, J. Correa-Basurto, M. Hernández-Rodríguez, 2013, Protein science : a publication of the Protein Society.

Design, Synthesis and Biological Activities of (Thio)Urea Benzothiazole Derivatives

M. Rosales-Hernández, J. Mendieta-Wejebe, I. Padilla-Martínez, 2023, International journal of molecular sciences.

CATALYTIC ACTIVITY OF ACETYLCHOLINESTERASE IMMOBILIZED ON MESOPOROUS MOLECULAR SIEVES

M. Rosales-Hernández, J. Mendieta-Wejebe, J. Trujillo-Ferrara, 2007, International journal of biological macromolecules.

In silico design of HDAC6 inhibitors with neuroprotective effects

M. Rosales-Hernández, J. Correa-Basurto, M. Bello, 2021, Journal of biomolecular structure & dynamics.

Hydroxamic acid derivatives as HDAC1, HDAC6 and HDAC8 inhibitors with antiproliferative activity in cancer cell lines

M. Rosales-Hernández, J. Correa-Basurto, M. Bello, 2020, Scientific Reports.

The MPO system participates actively in the formation of an oxidative environment produced by neutrophils and activates the antioxidant mechanism of Naegleria fowleri

M. Rosales-Hernández, M. Shibayama, Nadia Flores-Huerta, 2020, Journal of leukocyte biology.

Molecular dynamics simulations depict structural motions of the whole human aryl hydrocarbon receptor influencing its binding of ligands and HSP90

M. Rosales-Hernández, M. Bello, M. Torres-Ramos, 2023, Journal of biomolecular structure & dynamics.

Catalytic Activity of Cytochrome P-450 using NADP + Reduced by an Anionic Hydride Organosiloxane

M. Rosales-Hernández, J. Mendieta-Wejebe, J. Trujillo-Ferrara, 2008 .

Neuroprotective Effects of Apocynin and Galantamine During the Chronic Administration of Scopolamine in an Alzheimer’s Disease Model

M. Rosales-Hernández, J. Correa-Basurto, M. Torres-Ramos, 2019, Journal of Molecular Neuroscience.

LC-MS metabolomic evidence metabolites from Oenothera rosea L´ Hér. ex Ait with antiproliferative properties on DU145 human prostate cancer cell line.

M. Rosales-Hernández, J. Correa-Basurto, A. Estrada-Pérez, 2023, Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie.

Ethers and esters derived from apocynin avoid the interaction between p47phox and p22phox subunits of NADPH oxidase: evaluation in vitro and in silico

M. Rosales-Hernández, J. Mendieta-Wejebe, J. Correa-Basurto, 2013, Bioscience reports.

LDH-A Promotes Metabolic Rewiring in Leucocytes from the Intestine of Rats Treated with TNBS

M. Rosales-Hernández, E. Abarca-Rojano, I. Arciniega-Martínez, 2023, Metabolites.

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

M. Rosales-Hernández, J. Mendieta-Wejebe, J. Correa-Basurto, 2014, Neurochemical Research.

Molecular modeling and LC–MS-based metabolomics of a glutamine-valproic acid (Gln-VPA) derivative on HeLa cells

M. Rosales-Hernández, J. Correa-Basurto, M. J. Fragoso-Vázquez, 2020, Molecular Diversity.

The importance of employing computational resources for the automation of drug discovery

José Correa-Basurto, Martha Cecilia Rosales-Hernández, M. Rosales-Hernández, 2015, Expert opinion on drug discovery.

Untargeted LC-MS/MS Metabolomics Study of HO-AAVPA and VPA on Breast Cancer Cell Lines

M. Rosales-Hernández, J. Correa-Basurto, A. Estrada-Pérez, 2023, International journal of molecular sciences.

Molecular modeling applied to anti-cancer drug development.

M. Rosales-Hernández, J. Trujillo-Ferrara, J. Correa-Basurto, 2009, Anti-cancer agents in medicinal chemistry.

In silico study suggests potential drugs that target CD151 to treat breast cancer and lioblastoma.

M. Rosales-Hernández, M. Martínez-Archundia, G. Ramírez-Salinas, 2024, Journal of computational chemistry.

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

M. Rosales-Hernández, M. Torres-Ramos, I. Arciniega-Martínez, 2020, Molecules.