Cytochrome P450 CYP1 metabolism of hydroxylated flavones and flavonols: Selective bioactivation of luteolin in breast cancer cells von Wilsher, Nicola E., Arroo, Randolph R., Matsoukas, Minos–Timotheos, Tsatsakis, Aristidis M., Spandidos, Demetrios A., Androutsopoulos, Vasilis P.

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Computational approaches in target identification and drug discovery von Katsila, Theodora, Spyroulias, Georgios A., Patrinos, George P., Matsoukas, Minos-Timotheos

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Autotaxin facilitates selective LPA receptor signaling von Salgado-Polo, Fernando, Borza, Razvan, Matsoukas, Minos-Timotheos, Marsais, Florence, Jagerschmidt, Catherine, Waeckel, Ludovic, Moolenaar, Wouter H., Ford, Paul, Heckmann, Bertrand, Perrakis, Anastassis

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Lysophosphatidic acid produced by autotaxin acts as an allosteric modulator of its catalytic efficiency von Salgado-Polo, Fernando, Fish, Alex, Matsoukas, Minos-Timotheos, Heidebrecht, Tatjana, Keune, Willem-Jan, Perrakis, Anastassis

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Natural Compounds for Bone Remodeling: A Computational and Experimental Approach Targeting Bone Metabolism-Related Proteins von Loukas, Alexandros-Timotheos, Papadourakis, Michail, Panagiotopoulos, Vasilis, Zarmpala, Apostolia, Chontzopoulou, Eleni, Christodoulou, Stephanos, Katsila, Theodora, Zoumpoulakis, Panagiotis, Matsoukas, Minos-Timotheos

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A COVID moonshot: assessment of ligand binding to the SARS-CoV-2 main protease by saturation transfer difference NMR spectroscopy von Kantsadi, Anastassia L., Cattermole, Emma, Matsoukas, Minos-Timotheos, Spyroulias, Georgios A., Vakonakis, Ioannis

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Novel Hit Compounds as Putative Antifungals: The Case of Aspergillus fumigatus von Kritsi, Eftichia, Matsoukas, Minos-Timotheos, Potamitis, Constantinos, Detsi, Anastasia, Ivanov, Marija, Sokovic, Marina, Zoumpoulakis, Panagiotis

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Molecular Epidemiology of SARS-CoV-2: The Dominant Role of Arginine in Mutations and Infectivity von Ridgway, Harry, Ntallis, Charalampos, Chasapis, Christos T, Kelaidonis, Konstantinos, Matsoukas, Minos-Timotheos, Plotas, Panagiotis, Apostolopoulos, Vasso, Moore, Graham, Tsiodras, Sotirios, Paraskevis, Dimitrios, Mavromoustakos, Thomas, Matsoukas, John M

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Reduction of stress responses in honey bees by synthetic ligands targeting an allatostatin receptor von Sánchez-Morales, Adrià, Gigoux, Véronique, Matsoukas, Minos-Timotheos, Perez-Benito, Laura, Fourmy, Daniel, Alibes, Ramón, Busqué, Félix, Cordomí, Arnau, Devaud, Jean-Marc

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Structural and Functional Insights into CRF Peptides and Their Receptors von Matsoukas, Minos-Timotheos, Panagiotopoulos, Vasilis, Karageorgos, Vlasios, Chrousos, George P, Venihaki, Maria, Liapakis, George

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Pharmacometabolomics Informs Quantitative Radiomics for Glioblastoma Diagnostic Innovation von Katsila, Theodora, Matsoukas, Minos-Timotheos, Patrinos, George P., Kardamakis, Dimitrios

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W254 in furin functions as a molecular gate promoting anti-viral drug binding: Elucidation of putative drug tunneling and docking by non-equilibrium molecular dynamics von Ridgway, Harry, Orbell, John D., Matsoukas, Minos-Timotheos, Kelaidonis, Konstantinos, Moore, Graham J., Tsiodras, Sotiris, Gorgoulis, Vasilis G., Chasapis, Christos T., Apostolopoulos, Vasso, Matsoukas, John M.

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Nitrate Esters of Heteroaromatic Compounds as Candida albicans CYP51 Enzyme Inhibitors von Smiljkovic, Marija, Matsoukas, Minos‐Timotheos, Kritsi, Eftichia, Zelenko, Urska, Grdadolnik, Simona Golic, Calhelha, Ricardo C., Ferreira, Isabel C. F. R., Sankovic‐Babic, Snezana, Glamoclija, Jasmina, Fotopoulou, Theano, Koufaki, Maria, Zoumpoulakis, Panagiotis, Sokovic, Marina

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Review cyclic peptides on a merry-go-round; towards drug design von Tapeinou, Anthi, Matsoukas, Minos-Timotheos, Simal, Carmen, Tselios, Theodore

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Design of Linear and Cyclic Mutant Analogues of Dirucotide Peptide (MBP 82⁻98 ) against Multiple Sclerosis: Conformational and Binding Studies to MHC Class II von Deraos, George, Kritsi, Eftichia, Matsoukas, Minos-Timotheos, Christopoulou, Konstantina, Kalbacher, Hubert, Zoumpoulakis, Panagiotis, Apostolopoulos, Vasso, Matsoukas, John

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The size matters? A computational tool to design bivalent ligands von Pérez-Benito, Laura, Henry, Andrew, Matsoukas, Minos-Timotheos, Lopez, Laura, Pulido, Daniel, Royo, Miriam, Cordomí, Arnau, Tresadern, Gary, Pardo, Leonardo

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Combined Computational and Structural Approach into Understanding the Role of Peptide Binding and Activation of Melanocortin Receptor 4 von Zachmann, Julian, Kritsi, Eftichia, Tapeinou, Anthi, Zoumpoulakis, Panagiotis, Tselios, Theodore, Matsoukas, Minos-Timotheos

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Structural elucidation of Leuprolide and its analogues in solution: insight into their bioactive conformation von Laimou, Despina K, Katsara, Maria, Matsoukas, Minos-Timotheos I, Apostolopoulos, Vasso, Troganis, Anastassios N, Tselios, Theodore V

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A Robust Machine Learning Framework Built Upon Molecular Representations Predicts CYP450 Inhibition: Toward Precision in Drug Repurposing von Ouzounis, Sotiris, Panagiotopoulos, Vasilis, Bafiti, Vivi, Zoumpoulakis, Panagiotis, Cavouras, Dionisis, Kalatzis, Ioannis, Matsoukas, Minos-Timotheos, Katsila, Theodora

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Nonconventional glucagon and GLP-1 receptor agonist and antagonist interplay at the GLP-1 receptor revealed in high-throughput FRET assays for cAMP von Chepurny, Oleg G., Matsoukas, Minos-Timotheos, Liapakis, George, Leech, Colin A., Milliken, Brandon T., Doyle, Robert P., Holz, George G.

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