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A. Kolocouris · SciRah

Researcher profile · Semantic Scholar

A. Kolocouris

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A. Kolocouris — researcher profile on SciRah

h-index: 27
Works: 165
Citations: 3,586

Most-cited papers

Structure and drug binding of the SARS-CoV-2 envelope protein transmembrane domain in lipid bilayers
V. Mandala, M. McKay, A. A. Shcherbakov, A. Dregni +2 more
2020Nature Structural & Molecular Biology350 citations Open access
Semantic Scholar
Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against Mpro and cathepsin L
M. Sacco, Chun-Long Ma, Panagiotis Lagarias, A. Gao +13 more
2020Science Advances345 citations Open access
Semantic Scholar
Ebselen, Disulfiram, Carmofur, PX-12, Tideglusib, and Shikonin Are Nonspecific Promiscuous SARS-CoV-2 Main Protease Inhibitors
Chun-Long Ma, Yanmei Hu, J. A. Townsend, Panagiotis Lagarias +3 more
2020ACS Pharmacology & Translational Science204 citations Open access
Semantic Scholar
Discovery of SARS-CoV-2 Papain-like Protease Inhibitors through a Combination of High-Throughput Screening and a FlipGFP-Based Reporter Assay
Chun-Long Ma, M. Sacco, Zi-Lei Xia, G. Lambrinidis +13 more
2021ACS Central Science156 citations Open access
Semantic Scholar
Inhibitors of the M2 Proton Channel Engage and Disrupt Transmembrane Networks of Hydrogen-Bonded Waters
J. Thomaston, N. F. Polizzi, Athina Konstantinidi, Jun Wang +2 more
2018Journal of the American Chemical Society87 citations Open access
Semantic Scholar
Amantadine inhibits known and novel ion channels encoded by SARS-CoV-2 in vitro
T. Toft-Bertelsen, M. G. Jeppesen, Eva Tzortzini, Kai Xue +8 more
2021Communications Biology64 citations Open access
Semantic Scholar
Structure and inhibition of the SARS-CoV-2 main protease reveals strategy for developing dual inhibitors against Mpro and cathepsin L
M. Sacco, Chun-Long Ma, Panagiotis Lagarias, A. Gao +13 more
2020bioRxiv46 citations Open access
Semantic Scholar
PET Diagnostic Molecules Utilizing Multimeric Cyclic RGD Peptide Analogs for Imaging Integrin αvβ3 Receptors
Christos Liolios, C. Sachpekidis, A. Kolocouris, A. Dimitrakopoulou-Strauss +1 more
2021Molecules45 citations Open access
Semantic Scholar
Effects of Cholesterol on GPCR Function: Insights from Computational and Experimental Studies.
S. Kiriakidi, A. Kolocouris, G. Liapakis, S. Ikram +2 more
2019Advances in Experimental Medicine and Biology35 citations
Semantic Scholar
Insights to the Binding of a Selective Adenosine A3 Receptor Antagonist Using Molecular Dynamic Simulations, MM-PBSA and MM-GBSA Free Energy Calculations, and Mutagenesis
Panagiotis Lagarias, Kerry Barkan, Eva Tzortzini, Margarita Stampelou +3 more
2019Journal of Chemical Information and Modeling31 citations Open access
Semantic Scholar
Alchemical Free Energy Calculations and Isothermal Titration Calorimetry Measurements of Aminoadamantanes Bound to the Closed State of Influenza A/M2TM
H. Ioannidis, Antonios Drakopoulos, Christina Tzitzoglaki, Nadine Homeyer +8 more
2016Journal of Chemical Information and Modeling27 citations Open access
Semantic Scholar
Investigation of the Drug Resistance Mechanism of M2-S31N Channel Blockers through Biomolecular Simulations and Viral Passage Experiments.
Rami Musharrafieh, Panagiotis Lagarias, Chun-Long Ma, Raymond K. Hau +4 more
2020ACS Pharmacology & Translational Science26 citations Open access
Semantic Scholar
Amantadine copper(II) chloride conjugate with possible implementation in influenza virus inhibition
C. Banti, N. Kourkoumelis, A. Hatzidimitriou, I. Antoniadou +8 more
202026 citations
Semantic Scholar
Binding and Proton Blockage by Amantadine Variants of the Influenza M2WT and M2S31N Explained
Christina Tzitzoglaki, Anna K. Wright, Kathrin Freudenberger, A. Hoffmann +8 more
2017Journal of Medicinal Chemistry26 citations Open access
Semantic Scholar
Unraveling the Binding, Proton Blockage, and Inhibition of Influenza M2 WT and S31N by Rimantadine Variants.
Antonios Drakopoulos, Christina Tzitzoglaki, Kelly L. McGuire, A. Hoffmann +10 more
2018ACS Medicinal Chemistry Letters25 citations Open access
Semantic Scholar
Synthesis and in vitro proof-of-concept studies on bispecific iron oxide magnetic nanoparticles targeting PSMA and GRP receptors for PET/MR imaging of prostate cancer.
Christos Liolios, T. Koutsikou, Evangelia-Alexandra Salvanou, Fotis Kapiris +5 more
2022International journal of pharmaceutics23 citations
Semantic Scholar
Structure and Drug Binding of the SARS-CoV-2 Envelope Protein in Phospholipid Bilayers
V. Mandala, M. McKay, A. A. Shcherbakov, A. Dregni +2 more
2020Research Square22 citations Open access
Semantic Scholar
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, E. Vrontaki, G. Lambrinidis, D. Stamatis +5 more
2018Journal of Chemical Information and Modeling22 citations Open access
Semantic Scholar
Rimantadine Binds to and Inhibits the Influenza A M2 Proton Channel without Enantiomeric Specificity
J. Thomaston, Marley L. Samways, Athina Konstantinidi, Chun-Long Ma +6 more
2021Biochemistry21 citations Open access
Semantic Scholar
Pharmacological characterisation of novel adenosine A3 receptor antagonists
Kerry Barkan, Panagiotis Lagarias, Margarita Stampelou, D. Stamatis +6 more
2020Scientific Reports21 citations Open access
Semantic Scholar
Host-Guest Interactions between Candesartan and Its Prodrug Candesartan Cilexetil in Complex with 2-Hydroxypropyl-β-cyclodextrin: On the Biological Potency for Angiotensin II Antagonism.
Dimitrios Ntountaniotis, Ioannis Andreadelis, Tahsin F. Kellici, Vlasios Karageorgos +19 more
2019Molecular Pharmaceutics21 citations
Semantic Scholar
Affinity of Rimantadine Enantiomers against Influenza A/M2 Protein Revisited.
Antonios Drakopoulos, Christina Tzitzoglaki, Chulong Ma, Kathrin Freudenberger +6 more
2017ACS Medicinal Chemistry Letters21 citations Open access
Semantic Scholar
X-ray crystal structures of the influenza M2 proton channel drug-resistant V27A mutant bound to a spiro-adamantyl amine inhibitor reveal the mechanism of adamantane resistance
J. Thomaston, Athina Konstantinidi, Lijun Liu, G. Lambrinidis +5 more
2020Biochemistry20 citations Open access
Semantic Scholar
A polycyclic scaffold identified by structure-based drug design effectively inhibits the human P2X7 receptor
A. Oken, A. Turcu, Eva Tzortzini, Kyriakos Georgiou +12 more
2025Nature Communications18 citations Open access
Semantic Scholar
Comparative Perturbation Effects Exerted by the Influenza A M2 WT Protein Inhibitors Amantadine and the Spiro[pyrrolidine-2,2'-adamantane] Variant AK13 to Membrane Bilayers Studied Using Biophysical Experiments and Molecular Dynamics Simulations.
Athina Konstantinidi, N. Naziris, M. Chountoulesi, S. Kiriakidi +8 more
2018Journal of Physical Chemistry B18 citations
Semantic Scholar
Comprehensive Overview of Homogeneous Gold-Catalyzed Transformations of π-Systems for Application Scientists
Ioannis Stylianakis, A. Kolocouris
2023Catalysts17 citations Open access
Semantic Scholar
Chemical Probes for Blocking of Influenza A M2 WT and S31N Channels
Christina Tzitzoglaki, Kelly L. McGuire, Panagiotis Lagarias, Athina Konstantinidi +10 more
2020ACS Chemical Biology17 citations Open access
Semantic Scholar
The L46P Mutant Confers a Novel Allosteric Mechanism of Resistance Toward the Influenza A Virus M2 S31N Proton Channel Blockers
Rami Musharrafieh, Panagiotis Lagarias, Chun-Long Ma, G. Tan +2 more
2019Molecular Pharmacology17 citations Open access
Semantic Scholar
A rationally designed 2C inhibitor prevents enterovirus D68-infected mice from developing paralysis
Kan Li, Michael J. Rudy, Yanmei Hu, Hao-Zhou Tan +11 more
2025Nature Communications16 citations Open access
Semantic Scholar
Synthesis and Testing of Analogs of the Tuberculosis Drug Candidate SQ109 Against Bacteria and Protozoa: Identification of Lead Compounds Against Mycobacterium abscessus and Malaria Parasites
Marianna Stampolaki, Satish R. Malwal, Nadine Alvarez-Cabrera, Zijun Gao +29 more
2023ACS Infectious Diseases16 citations Open access
Semantic Scholar
Dual A1/A3 Adenosine Receptor Antagonists: Binding Kinetics and Structure-Activity Relationship Studies Using Mutagenesis and Alchemical Binding Free Energy Calculations.
Margarita Stampelou, Anna Suchánková, Efpraxia Tzortzini, Lakshiv Dhingra +6 more
2022Journal of Medicinal Chemistry16 citations Open access
Semantic Scholar
Ebselen, disulfiram, carmofur, PX-12, tideglusib, and shikonin are non-specific promiscuous SARS-CoV-2 main protease inhibitors
Chun-Long Ma, Yanmei Hu, J. A. Townsend, Panagiotis Lagarias +3 more
2020bioRxiv16 citations Open access
Semantic Scholar
1,2-Αnnulated Adamantane Heterocyclic Derivatives as Anti-Influenza Α Virus Agents
Vasiliki Pardali, Erofili Giannakopoulou, Athina Konstantinidi, A. Kolocouris +1 more
2019Croatica Chemica Acta16 citations Open access
Semantic Scholar
Conformational energies of reference organic molecules: benchmarking of common efficient computational methods against coupled cluster theory
Ioannis Stylianakis, N. Zervos, Jenn-Huei Lii, D. Pantazis +1 more
2023Journal of Computer-Aided Molecular Design15 citations Open access
Semantic Scholar
Effects of Membrane Cholesterol on the Structure and Function of Selected Class A GPCRsChallenges and Future Perspectives
Marina Christofidi, Efpraxia Tzortzini, T. Mavromoustakos, A. Kolocouris
2025Biochemistry14 citations Open access
Semantic Scholar
Structural Characterization of Agonist Binding to A3 Adenosine Receptor through Biomolecular Simulations and Mutagenesis Experiments.
D. Stamatis, Panagiotis Lagarias, Kerry Barkan, E. Vrontaki +2 more
2019Journal of Medicinal Chemistry14 citations Open access
Semantic Scholar
Computational Workflow for Refining AlphaFold Models in Drug Design Using Kinetic and Thermodynamic Binding Calculations: A Case Study for the Unresolved Inactive Human Adenosine A3 Receptor.
Margarita Stampelou, G. Ladds, A. Kolocouris
2024Journal of Physical Chemistry B13 citations
Semantic Scholar
Investigation of Tumor Cells and Receptor-Ligand Simulation Models for the Development of PET Imaging Probes Targeting PSMA and GRPR and a Possible Crosstalk between the Two Receptors.
Christos Liolios, Christos Patsis, G. Lambrinidis, Efpraxia Tzortzini +4 more
2022Molecular Pharmaceutics13 citations
Semantic Scholar
Structure-based lead optimization of enterovirus D68 2A protease inhibitors
Bin Tan, Chang Liu, Kan Li, Prakash Jadhav +8 more
2023Journal of Medicinal Chemistry12 citations
Semantic Scholar
Author Correction: Amantadine inhibits known and novel ion channels encoded by SARS-CoV-2 in vitro
T. Toft-Bertelsen, M. G. Jeppesen, Eva Tzortzini, Kai Xue +8 more
2021Communications Biology12 citations Open access
Semantic Scholar
Identification of naturally occurring drug-resistant mutations of SARS-CoV-2 papain-like protease
Hao-Zhou Tan, Qian-Ru Zhang, Kyriakos Georgiou, Siyu Zhang +5 more
2025Nature Communications11 citations Open access
Semantic Scholar
Antiviral Mechanisms and Preclinical Evaluation of Amantadine Analogs that Continue to Inhibit Influenza A Viruses with M2S31N-Based Drug Resistance
I. Tietjen, Daniel C. H. Kwan, Annett Petrich, Roland Zell +11 more
2024bioRxiv11 citations Open access
Semantic Scholar
Discovery of a High Affinity Adenosine A1/A3 Receptor Antagonist with a Novel 7-Amino-pyrazolo[3,4-d]pyridazine Scaffold
Anna Suchánková, Margarita Stampelou, Klontiana Koutsouki, Athanasios Pousias +8 more
2022ACS Medicinal Chemistry Letters11 citations Open access
Semantic Scholar
Inside and Out of the Pore: Comparing Interactions and Molecular Dynamics of Influenza A M2 Viroporin Complexes in Standard Lipid Bilayers
D. Kolokouris, I. Kalenderoglou, A. Kolocouris
2021Journal of Chemical Information and Modeling11 citations
Semantic Scholar
Comparative Study of Receptor-, Receptor State-, and Membrane-Dependent Cholesterol Binding Sites in A2A and A1 Adenosine Receptors Using Coarse-Grained Molecular Dynamics Simulations
Efpraxia Tzortzini, R. Corey, A. Kolocouris
2023Journal of Chemical Information and Modeling10 citations
Semantic Scholar
Synthesis and Preclinical Evaluation of a Bispecific PSMA-617/RM2 Heterodimer Targeting Prostate Cancer
Christos Liolios, Danai Bouziotis, W. Sihver, Martin Schäfer +7 more
2024ACS Medicinal Chemistry Letters9 citations Open access
Semantic Scholar
The Role of Cholesterol in M2 Clustering and Viral Budding Explained
D. Kolokouris, I. Kalenderoglou, Anna L. Duncan, R. Corey +2 more
2024bioRxiv9 citations Open access
Semantic Scholar
Hit-to-Lead Optimization of Heterocyclic Carbonyloxycarboximidamides as Selective Antagonists at Human Adenosine A3 Receptor
Xiang-Lin Huang, Anna Chorianopoulou, Panagoula Kalkounou, M. Georgiou +10 more
2024Journal of Medicinal Chemistry8 citations Open access
Semantic Scholar
The Tuberculosis Drug Candidate SQ109 and Its Analogs Have Multistage Activity against Plasmodium falciparum
Savannah Watson, Mariëtte E. van der Watt, A. Theron, J. Reader +20 more
2024ACS Infectious Diseases8 citations Open access
Semantic Scholar
A Study of the Activity of Adamantyl Amines against Mutant Influenza A M2 Channels Identified a Polycyclic Cage Amine Triple Blocker, Explored by Molecular Dynamics Simulations and Solid‐State NMR **
Marianna Stampolaki, A. Hoffmann, Kumar Tekwani, Kyriakos Georgiou +12 more
2023ChemMedChem8 citations Open access
Semantic Scholar

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