María Zervoú
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View article: Data-Driven and Structure-Based Modelling for the Discovery of Human DNMT1 Inhibitors: A Pathway to Structure–Activity Relationships
Data-Driven and Structure-Based Modelling for the Discovery of Human DNMT1 Inhibitors: A Pathway to Structure–Activity Relationships Open
Nowadays, the explosive growth of knowledge in the epigenetics field has highlighted DNA methyltransferase 1 (DNMT1) as a key regulator of genomic methylation patterns and a promising therapeutic target in several diseases. In light of the…
View article: 2-Cyclopropanecarboxamido- 6-carboxamide substituted benzothiazoles: Synthesis, in vitro and in vivo evaluation of their antiproliferative and anti-tumorigenic activity
2-Cyclopropanecarboxamido- 6-carboxamide substituted benzothiazoles: Synthesis, in vitro and in vivo evaluation of their antiproliferative and anti-tumorigenic activity Open
To expand our structure-activity relationship studies exploiting substituted benzothiazoles as potential antiproliferative and antitumor agents, we developed a new class of benzothiazole derivatives by coupling of 2-(cyclopropanecarboxamid…
View article: AgamOBP1‐Directed Discovery of Repellents to Control the Spread of Mosquito‐Borne Diseases
AgamOBP1‐Directed Discovery of Repellents to Control the Spread of Mosquito‐Borne Diseases Open
Toward the discovery of novel efficient repellents, protein‐directed dynamic combinatorial chemistry (pdDCC) coupled to saturation‐transfer difference (STD) NMR spectroscopy was initially employed to identify modulators of the malaria vect…
View article: Metabolomics-Driven Investigation of Harpin αβ and Laminarin Effects on Cannabis sativa L. Employing GC/EI/MS and 1H NMR Metabolomics
Metabolomics-Driven Investigation of Harpin αβ and Laminarin Effects on Cannabis sativa L. Employing GC/EI/MS and 1H NMR Metabolomics Open
Hemp (Cannabis sativa L.) is a polymorphic species that synthesizes an array of bioactive metabolites, with cannabinoids and terpenoids constituting the major chemical classes. Until recently, the lack of legislative framework led to limit…
View article: 2-Cyclopropanecarboxamido- 6-Carboxamide Substituted Benzothiazoles: Synthesis, in Vitro and in Vivo Evaluation of Their Antiproliferative and Anti-Tumorigenic Activity
2-Cyclopropanecarboxamido- 6-Carboxamide Substituted Benzothiazoles: Synthesis, in Vitro and in Vivo Evaluation of Their Antiproliferative and Anti-Tumorigenic Activity Open
View article: A Ligand-Free Approach towards Coumarin Analogs via Natural Deep Eutectic Solvent-Mediated Suzuki–Miyaura Coupling
A Ligand-Free Approach towards Coumarin Analogs via Natural Deep Eutectic Solvent-Mediated Suzuki–Miyaura Coupling Open
A ligand-free approach for the Suzuki-Miyaura cross coupling reaction using Natural Deep Eutectic Solvents (NaDES) towards coumarin analogs is described. A model reaction between the synthetically prepared 3-(4-acetyloxy-phenyl)-6-bromo-4-…
View article: The Metabolic and Antioxidant Activity Profiles of Aged Greek Grape Marc Spirits
The Metabolic and Antioxidant Activity Profiles of Aged Greek Grape Marc Spirits Open
In the last decade, “expressions” of grape marc spirits aged in wooden barrels of characteristic amber color and complex sensory attributes have been introduced. Yet studies on constituents migrating from the barrel to the beverage are sca…
View article: Circulatory Metabolite Ratios as Indicators of Lifestyle Risk Factors Based on a Greek NAFLD Case–Control Study
Circulatory Metabolite Ratios as Indicators of Lifestyle Risk Factors Based on a Greek NAFLD Case–Control Study Open
An ensemble of confounding factors, such as an unhealthy diet, obesity, physical inactivity, and smoking, have been linked to a lifestyle that increases one’s susceptibility to chronic diseases and early mortality. The circulatory metabolo…
View article: A Computational Approach for the Discovery of Novel DNA Methyltransferase Inhibitors
A Computational Approach for the Discovery of Novel DNA Methyltransferase Inhibitors Open
Nowadays, the explosion of knowledge in the field of epigenetics has revealed new pathways toward the treatment of multifactorial diseases, rendering the key players of the epigenetic machinery the focus of today’s pharmaceutical landscape…
View article: Design and Synthesis of Novel 2‐Acetamido, 6‐Carboxamide Substituted Benzothiazoles as Potential BRAFV600E Inhibitors – <i>In vitro</i> Evaluation of their Antiproliferative Activity
Design and Synthesis of Novel 2‐Acetamido, 6‐Carboxamide Substituted Benzothiazoles as Potential BRAFV600E Inhibitors – <i>In vitro</i> Evaluation of their Antiproliferative Activity Open
The oncogenic BRAFV600E kinase leads to abnormal activation of the MAPK signaling pathway and thus, uncontrolled cellular proliferation and cancer development. Based on our previous virtual screening studies which issued 2‐acetamido‐1,3 be…
View article: Serum metabolomic profiling unveils distinct sex-related metabolic patterns in NAFLD
Serum metabolomic profiling unveils distinct sex-related metabolic patterns in NAFLD Open
Objective Obesity poses an increased risk for the onset of Nonalcoholic fatty liver disease (NAFLD). The influence of other factors, such as sex in the incidence and severity of this liver disease has not yet been fully elucidated. Thus, w…
View article: A quest for the stereo-electronic requirements for selective agonism for the neurotrophin receptors TrkA and TrkB in 17-spirocyclic-dehydroepiandrosterone derivatives
A quest for the stereo-electronic requirements for selective agonism for the neurotrophin receptors TrkA and TrkB in 17-spirocyclic-dehydroepiandrosterone derivatives Open
Introduction The neurotrophin system plays a pivotal role in the development, morphology, and survival of the nervous system, and its dysregulation has been manifested in numerous neurodegenerative and neuroinflammatory diseases. Neurotrop…
View article: Correction: Boulaka et al. Genoprotective Properties and Metabolites of β-Glucan-Rich Edible Mushrooms Following Their In Vitro Fermentation by Human Faecal Microbiota. Molecules 2020, 25, 3554
Correction: Boulaka et al. Genoprotective Properties and Metabolites of β-Glucan-Rich Edible Mushrooms Following Their In Vitro Fermentation by Human Faecal Microbiota. Molecules 2020, 25, 3554 Open
The authors wish to add the following information to the Authors and Affiliation section of our paper published in Molecules [...]
View article: In Vitro Fermentation of Pleurotus eryngii Mushrooms by Human Fecal Microbiota: Metataxonomic Analysis and Metabolomic Profiling of Fermentation Products
In Vitro Fermentation of Pleurotus eryngii Mushrooms by Human Fecal Microbiota: Metataxonomic Analysis and Metabolomic Profiling of Fermentation Products Open
Edible mushrooms contain biologically active compounds with antioxidant, antimicrobial, immunomodulatory and anticancer properties. The link between their anticancer and immunomodulatory properties with their possible prebiotic activity on…
View article: Genoprotective Properties and Metabolites of β-Glucan-Rich Edible Mushrooms Following Their In Vitro Fermentation by Human Faecal Microbiota
Genoprotective Properties and Metabolites of β-Glucan-Rich Edible Mushrooms Following Their In Vitro Fermentation by Human Faecal Microbiota Open
A variety of bioactive compounds, constituents of edible mushrooms, in particular β-glucans, i.e., a group of β-d-glucose polysaccharides abundant in the fungal cell walls, have been linked to immunomodulating, anticancer and prebiotic act…
View article: BNN27, a 17-Spiroepoxy Steroid Derivative, Interacts With and Activates p75 Neurotrophin Receptor, Rescuing Cerebellar Granule Neurons from Apoptosis
BNN27, a 17-Spiroepoxy Steroid Derivative, Interacts With and Activates p75 Neurotrophin Receptor, Rescuing Cerebellar Granule Neurons from Apoptosis Open
Neurotrophin receptors mediate a plethora of signals affecting neuronal survival. The p75 pan-neurotrophin receptor controls neuronal cell fate after its selective activation by immature and mature isoforms of all neurotrophins. It also ex…
View article: The crystal structure of the AgamOBP1•Icaridin complex reveals alternative binding modes and stereo-selective repellent recognition
The crystal structure of the AgamOBP1•Icaridin complex reveals alternative binding modes and stereo-selective repellent recognition Open
View article: CCDC 1405495: Experimental Crystal Structure Determination
CCDC 1405495: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 1405496: Experimental Crystal Structure Determination
CCDC 1405496: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 1405497: Experimental Crystal Structure Determination
CCDC 1405497: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 1405498: Experimental Crystal Structure Determination
CCDC 1405498: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …