Publications by authors named "Eleni Vrontaki"

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Drug Delivery Systems Based on Modified Polysaccharides: Synthesis and Characterization.
Aikaterini-Foteini Metaxa, Eleni Vrontaki, Eleni K Efthimiadou, Thomas Mavromoustakos

Methods Mol Biol· March 2021

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Pharmacological characterisation of novel adenosine A receptor antagonists.
Kerry Barkan, Panagiotis Lagarias, Margarita Stampelou, Dimitrios Stamatis, Sam Hoare, Eleni Vrontaki

Sci Rep· November 2020

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Synthetic Analogues of Aminoadamantane as Influenza Viral Inhibitors-In Vitro, In Silico and QSAR Studies.
Radoslav Chayrov, Nikolaos A Parisis, Maria V Chatziathanasiadou, Eleni Vrontaki, Kalliopi Moschovou

Molecules· September 2020

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Correction to Insights to the Binding of a Selective Adenosine A Receptor Antagonist using Molecular Dynamic Simulations, MM-PBSA and MM-GBSA Free Energy Calculations, and Mutagenesis.
Panagiotis Lagarias, Kerry Barkan, Eva Tzortzini, Margarita Stampelou, Eleni Vrontaki

J Chem Inf Model· April 2020

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Insights to the Binding of a Selective Adenosine A Receptor Antagonist Using Molecular Dynamic Simulations, MM-PBSA and MM-GBSA Free Energy Calculations, and Mutagenesis.
Panagiotis Lagarias, Kerry Barkan, Eva Tzortzini, Margarita Stampelou, Eleni Vrontaki

J Chem Inf Model· December 2019

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Structural Characterization of Agonist Binding to an A Adenosine Receptor through Biomolecular Simulations and Mutagenesis Experiments.
Dimitrios Stamatis, Panagiotis Lagarias, Kerry Barkan, Eleni Vrontaki, Graham Ladds

J Med Chem· October 2019

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Pharmacophore Generation and 3D-QSAR Model Development Using PHASE.
Eleni Vrontaki, Antonios Kolocouris

Methods Mol Biol· March 2019

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Discovery of Novel Adenosine Receptor Antagonists through a Combined Structure- and Ligand-Based Approach Followed by Molecular Dynamics Investigation of Ligand Binding Mode.
Panagiotis Lagarias, Eleni Vrontaki, George Lambrinidis, Dimitrios Stamatis, Marino Convertino

J Chem Inf Model· April 2018

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Integrating computational methods to predict mutagenicity of aromatic azo compounds.
Domenico Gadaleta, Nicola Porta, Eleni Vrontaki, Serena Manganelli, Alberto Manganaro

J Environ Sci Health C Environ Carcinog Ecotoxicol Rev· October 2017

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Searching for Novel Janus Kinase-2 Inhibitors Using a Combination of Pharmacophore Modeling, 3D-QSAR Studies and Virtual Screening.
Eleni Vrontaki, Georgia Melagraki, Antreas Afantitis, Thomas Mavromoustakos, George Kollias

Mini Rev Med Chem· April 2017

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Development of a Predictive Pharmacophore Model and a 3D-QSAR Study for an in silico Screening of New Potent Bcr-Abl Kinase Inhibitors.
Eleni Vrontaki, Georgia Melagraki, Stella Voskou, Marios S Phylactides, Thomas Mavromoustakos

Mini Rev Med Chem· April 2017

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Computer Aided Drug Design Approaches for Identification of Novel Autotaxin (ATX) Inhibitors.
Eleni Vrontaki, Georgia Melagraki, Eleanna Kaffe, Thomas Mavromoustakos, George Kokotos

Curr Med Chem· February 2017

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Searching for anthranilic acid-based thumb pocket 2 HCV NS5B polymerase inhibitors through a combination of molecular docking, 3D-QSAR and virtual screening.
Eleni Vrontaki, Georgia Melagraki, Thomas Mavromoustakos, Antreas Afantitis

J Enzyme Inhib Med Chem· October 2016

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Stability and binding effects of silver(I) complexes at lipoxygenase-1.
Eleni Vrontaki, Georgios Leonis, Aggelos Avramopoulos, Manthos G Papadopoulos, Mihael Simčič

J Enzyme Inhib Med Chem· April 2016

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Rational drug design paradigms: the odyssey for designing better drugs.
Tahsin Kellici, Dimitrios Ntountaniotis, Eleni Vrontaki, George Liapakis, Panagiota Moutevelis-Minakakis

Comb Chem High Throughput Screen· October 2015

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Exploiting ChEMBL database to identify indole analogs as HCV replication inhibitors.
Eleni Vrontaki, Georgia Melagraki, Thomas Mavromoustakos, Antreas Afantitis

Methods· January 2015

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Conformational analysis of two novel cytotoxic C2-substituted pyrrolo[2,3-f]quinolines in aqueous media, organic solvents, membrane bilayers and at the putative active site.
Nicole Varvarigou, Grigorios Megariotis, Georgios Leonis, Eleni Vrontaki, Antigoni-Margarita Maniati

Bioorg Med Chem· November 2012

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