Items created by Hayes, Joseph

Alexopoulos, Serafeim, Mcgawley, Megan, Mathews, Roshini Mariam, Papakostopoulou, Souzana, Koulas, Symeon, Leonidas, Demetres D., Zwain, Tamara, Hayes, Joseph ORCID: 0000-0002-7745-9616 and Skamnaki, Vasiliki (2024) Evidence for the Quercetin Binding Site of Glycogen Phosphorylase as a Target for Liver-Isoform-Selective Inhibitors against Glioblastoma: Investigation of Flavanols Epigallocatechin Gallate and Epigallocatechin. Journal of Agricultural and Food Chemistry, 72 (43). pp. 24070-24081. ISSN 0021-8561

Schram, Niah, Hayes, Joseph ORCID: 0000-0002-7745-9616, Antia, Imeobong ORCID: 0000-0001-6620-1903 and Stasik, Izabela ORCID: 0000-0002-7756-4731 (2024) STUDIES ON GLYCOGEN PHOSPHORYLASE AS A POTENTIAL MOLECULAR TARGET IN GLIOBLASTOMA. Neuro-Oncology, 26 (Supp7). vii17-vii17. ISSN 1522-8517

Khan, Zahra Rafiqa, Welsby, Philip J., Stasik, Izabela ORCID: 0000-0002-7756-4731 and Hayes, Joseph ORCID: 0000-0002-7745-9616 (2024) Discovery of Potent Multikinase Type-II Inhibitors Targeting CDK5 in the DFG-out Inactive State with Promising Potential against Glioblastoma. Journal of Medicinal Chemistry, 67 (9). pp. 7539-7552. ISSN 0022-2623

Homolya, Levente, Mathomes, Rachel Thelma ORCID: 0000-0002-1079-8509, Varga, Luca, Docsa, Tibor, Juhasz, Laszlo, Hayes, Joseph ORCID: 0000-0002-7745-9616 and Somsák, László (2024) Synthesis, in silico and kinetics evaluation of N-(β-D-glucopyranosyl)-2-arylimidazole-4(5)-carboxamides and N-(β-D-glucopyranosyl)-4(5)-arylimidazole-2-carboxamides as glycogen phosphorylase inhibitors. International Journal of Molecular Sciences, 25 (9). ISSN 1661-6596

Mathomes, Rachel Thelma ORCID: 0000-0002-1079-8509, Koulas, Symeon M., Tsialtas, Ioannis, Stravodimos, George, Welsby, Philip J., Psarra, Anna-Maria G., Stasik, Izabela ORCID: 0000-0002-7756-4731, Leonidas, Demetres D. and Hayes, Joseph ORCID: 0000-0002-7745-9616 (2023) Multidisciplinary docking, kinetics and X-ray crystallography studies of baicalein acting as a glycogen phosphorylase inhibitor and determination of its’ potential against glioblastoma in cellular models. Chemico-Biological Interactions, 382 . ISSN 0009-2797

Emmerich, Thomas David and Hayes, Joseph ORCID: 0000-0002-7745-9616 (2023) In Silico-Motivated Discovery of Novel Potent Glycogen Synthase-3 Inhibitors: 1-(Alkyl/arylamino)-3H-naphtho[1,2,3-de]quinoline-2,7-dione Identified as a Scaffold for Kinase Inhibitor Development. Pharmaceuticals, 16 (5). p. 661.

Kun, Sándor, Mathomes, Rachel Thelma ORCID: 0000-0002-1079-8509, Docsa, Tibor, Somsák, László and Hayes, Joseph ORCID: 0000-0002-7745-9616 (2023) Design and Synthesis of 3-(β-d-Glucopyranosyl)-4-amino/4-guanidino Pyrazole Derivatives and Analysis of Their Glycogen Phosphorylase Inhibitory Potential. Molecules, 28 (7). p. 3005.

Khan, Zahra, Stasik, Izabela ORCID: 0000-0002-7756-4731 and Hayes, Joseph ORCID: 0000-0002-7745-9616 (2022) Computer-aided Design of Novel CDK5 Inhibitors; Towards New Treatments of Glioblastoma. Neuro-Oncology, 24 (Supple). iv8-iv8. ISSN 1523-5866

Rzepecka, Klaudia, Lawrence, Clare Louise ORCID: 0000-0003-0170-0079, Moualla, Dima, Hayes, Joseph ORCID: 0000-0002-7745-9616 and Alder, Jane Elizabeth ORCID: 0000-0003-4463-0349 (2022) Effects of Glycogen Synthase Kinase-3β (GSK3β) Inhibition in Glioblastoma Using Novel Compounds. Neuro-Oncology, 24 (Supple). iv20-iv20. ISSN 1523-5866

Alexopoulos, Serafeim, Gkouskou, Anastasia, Stravodimos, George, Tsagkarakou, Anastasia S., Tsialtas, Ioannis, Katounis, Demetres, Psarra, Anna-Maria G., Leonidas, Demetres, Brahmachari, Goutam et al (2022) The druggability of the ATP binding site of glycogen phosphorylase kinase probed by coumarin analogues. Current Research in Chemical Biology .

Kiss, Mariann, Timári, István, Barna, Teréz, Mészáros, Zuzana, Slámová, Kristýna, Bojarová, Pavla, Křen, Vladimír, Hayes, Joseph ORCID: 0000-0002-7745-9616 and Somsák, László (2022) 2-Acetamido-2-deoxy- d -glucono-1,5-lactone Sulfonylhydrazones: Synthesis and Evaluation as Inhibitors of Human OGA and HexB Enzymes. International Journal of Molecular Sciences, 23 (3). e1037. ISSN 1661-6596

Lawson, Christopher, Ahmed Alta, Thowaiba Babikr, Moschou, Georgia, Skamnaki, Vasiliki, Solovou, Theodora G A, Topham, Caroline, Hayes, Joseph ORCID: 0000-0002-7745-9616 and Snape, Timothy (2021) Novel diarylamides and diarylureas with N-substitution dependent activity against medulloblastoma. European Journal of Medicinal Chemistry, 225 . p. 113751. ISSN 0223-5234

Kiss, Mariann, Szabó, Erna, Bocska, Boglárka, Sinh, Luu Thanh, Fernandes, Conceicao Piedade, Timári, István, Hayes, Joseph ORCID: 0000-0002-7745-9616, Somsák, László and Barna, Teréz (2021) Nanomolar inhibition of human OGA by 2-acetamido-2-deoxy-D-glucono-1,5-lactone semicarbazone derivatives. European Journal of Medicinal Chemistry, 223 . p. 113649. ISSN 0223-5234

Sullivan, Mark Vincent, Dennison, Sarah Rachel ORCID: 0000-0003-4863-9607, Hayes, Joseph ORCID: 0000-0002-7745-9616 and Reddy, Subrayal M ORCID: 0000-0002-7362-184X (2021) Evaluation of acrylamide-based molecularly imprinted polymer thin-sheets for specific protein capture - a myoglobin model. Biomedical Physics and Engineering Express .

Davies, Matthew P, Benitez, Rocio, Perez, Concepcion, Jakupovic, Sven, Welsby, Philip John ORCID: 0000-0002-2110-8198, Rzepecka, Klaudia Magdalena, Alder, Jane Elizabeth ORCID: 0000-0003-4463-0349, Davidson, Colin ORCID: 0000-0002-8180-7943, Martinez, Ana et al (2021) Structure-Based Design of Potent Selective Nanomolar Type-II Inhibitors of Glycogen Synthase Kinase-3β. Journal of Medicinal Chemistry, 64 (3). pp. 1497-1509. ISSN 0022-2623

Chetter, Ben, Kyriakis, Efthimios, Barr, Daniel, Karra, Aikaterini G., Katsidou, Elisabeth, Koulas, Symeon M., Skamnaki, Vassiliki T., Snape, Timothy James ORCID: 0000-0003-2766-4491, Psarra, Anna-Maria G. et al (2020) Synthetic flavonoid derivatives targeting the glycogen phosphorylase inhibitor site: QM/MM-PBSA motivated synthesis of substituted 5,7-dihydroxyflavones, crystallography, in vitro kinetics and ex-vivo cellular experiments reveal novel potent inhibitors. Bioorganic Chemistry, 102 (104003). ISSN 0045-2068

Wychowaniec, Jacek K., Patel, Ronak, Leach, James, Mathomes, Rachel Thelma ORCID: 0000-0002-1079-8509, Chhabria, Vikesh ORCID: 0000-0001-7812-7368, Patil-Sen, Yogita, Hidalgo-Bastida, Araida, Forbes, Robert Thomas ORCID: 0000-0003-3521-4386, Hayes, Joseph ORCID: 0000-0002-7745-9616 et al (2020) Aromatic Stacking Facilitated Self-Assembly of Ultrashort Ionic Complementary Peptide Sequence: β-Sheet Nanofibers with Remarkable Gelation and Interfacial Properties. Biomacromolecules, 21 (7). pp. 2670-2680. ISSN 1525-7797

Barr, Daniel, Szennyes, Eszter, Bokor, Éva, Al-Oanzi, Ziad H., Moffatt, Colin, Kun, Sándor, Docsa, Tibor, Sipos, Ádám, Davies, Matthew et al (2019) Identification of C-β-d-Glucopyranosyl Azole-Type Inhibitors of Glycogen Phosphorylase That Reduce Glycogenolysis in Hepatocytes: In Silico Design, Synthesis, in Vitro Kinetics, and ex Vivo Studies. ACS Chemical Biology, 14 (7). pp. 1460-1470. ISSN 1554-8929

Sullivan, Mark, Dennison, Sarah Rachel ORCID: 0000-0003-4863-9607, Archontis, Georgios, Reddy, Subrayal M ORCID: 0000-0002-7362-184X and Hayes, Joseph ORCID: 0000-0002-7745-9616 (2019) Toward Rational Design of Selective Molecularly Imprinted Polymers (MIPs) for Proteins: Computational and Experimental Studies of Acrylamide Based Polymers for Myoglobin. The Journal of Physical Chemistry B, 123 (26). pp. 5432-5443. ISSN 1520-6106

Karra, Aikaterini G, Konstantinou, Maria, Tzortziou, Maria, Tsialtas, Ioannis, Kalousi, Foteini D, Garagounis, Constantine, Hayes, Joseph M ORCID: 0000-0002-7745-9616 and Psarra, Anna-Maria G (2018) Potential Dissociative Glucocorticoid Receptor Activity for Protopanaxadiol and Protopanaxatriol. International Journal of Molecular Sciences, 20 (1). p. 94. ISSN 1661-6596

Kun, Sándor, Begum, Jaida, Kyriakis, Efthimios, Stamati, Evgenia C V, Barkas, Thomas A, Szennyes, Eszter, Bokor, Éva, Szabó, Katalin E, Stravodimos, George A et al (2018) A multidisciplinary study of 3-(β-d-glucopyranosyl)-5-substituted-1,2,4-triazole derivatives as glycogen phosphorylase inhibitors: Computation, synthesis, crystallography and kinetics reveal new potent inhibitors. European Journal of Medicinal Chemistry, 147 . pp. 266-278. ISSN 0223-5234

Chatzileontiadou, Demetra S. M., Tsika, Aikaterini C., Diamantopoulou, Zoi, Delbé, Jean, Badet, Josette, Courty, José, Skamnaki, Vassiliki T., Parmenopoulou, Vanessa, Komiotis, Dimitri et al (2018) Evidence for Novel Action at the Cell-Binding Site of Human Angiogenin Revealed by Heteronuclear NMR Spectroscopy and in silico and in vivo Studies. ChemMedChem, 13 (3). pp. 259-269. ISSN 1860-7179

Sherer, Christopher ORCID: 0000-0002-6422-9870, Prabhu, Saurabh, Adams, David R, Hayes, Joseph ORCID: 0000-0002-7745-9616, Rowther, Farzana, Tolaymat, Ibrahim, Warr, Tracy and Snape, Timothy James ORCID: 0000-0003-2766-4491 (2018) Towards identifying potent new hits for glioblastoma. MedChemComm, 9 (11). pp. 1850-1861. ISSN 2040-2503

Stravodimos, G, Chetter, Ben, Kyriakis, E, Kantsadi, A.L, Chatzileontiadou, D.S.M, Skamnaki, V.T, Kato, A, Hayes, Joseph ORCID: 0000-0002-7745-9616 and Leonidas, D.D (2017) Phytogenic polyphenols as glycogen phosphorylase inhibitors: The potential of triterpenes and flavonoids for glycaemic control in type 2 diabetes. Current Medicinal Chemistry, 24 (4). pp. 384-403. ISSN 0929-8673

Hayes, Joseph ORCID: 0000-0002-7745-9616 (2016) Computer-Aided Discovery of Glycogen Phosphorylase Inhibitors Exploiting Natural Products. In: Discovery and Development of Antidiabetic Agents from Natural Products: Natural Product Drug Discovery. Elsevier, pp. 29-62. ISBN 9780128094501

Georgatza, Demetra, Gorgogietas, Vyron A., Kylindri, Paraskevi, Charalambous, Maria Ch., Papadopoulou, Kalliope K., Hayes, Joseph ORCID: 0000-0002-7745-9616 and Psarra, Anna-Maria G. (2016) The triterpene echinocystic acid and its 3-O-glucoside derivative are revealed as potent and selective glucocorticoid receptor agonists. The International Journal of Biochemistry & Cell Biology, 79 . pp. 277-287. ISSN 13572725

Begum, Jaida, Varga, Gergely, Docsa, Tibor, Gergely, Pál, Hayes, Joseph M. ORCID: 0000-0002-7745-9616, Juhász, László and Somsák, László (2015) Computationally motivated synthesis and enzyme kinetic evaluation of N-(β-d-glucopyranosyl)-1,2,4-triazolecarboxamides as glycogen phosphorylase inhibitors. Med. Chem. Commun., 6 (1). pp. 80-89. ISSN 2040-2503

Begum, Jaida, Skamnaki, Vassiliki T., Moffatt, Colin, Bischler, Nicolas, Sarrou, Josephine, Skaltsounis, Alexios-Leandros, Leonidas, Demetres D., Oikonomakos, Nikos G. and Hayes, Joseph ORCID: 0000-0002-7745-9616 (2015) An evaluation of indirubin analogues as phosphorylase kinase inhibitors. Journal of Molecular Graphics and Modelling, 61 . pp. 231-242. ISSN 10933263

Hayes, Joseph M. ORCID: 0000-0002-7745-9616, Deydier, Eric, Ujaque, Gregori, Lledós, Agustí, Malacea-Kabbara, Raluca, Manoury, Eric, Vincendeau, Sandrine and Poli, Rinaldo (2015) Ketone Hydrogenation with Iridium Complexes with “non N–H” Ligands: The Key Role of the Strong Base. ACS Catalysis, 5 (7). pp. 4368-4376. ISSN 2155-5435

Parmenopoulou, Vanessa, Kantsadi, Anastassia L., Tsirkone, Vicky G., Chatzileontiadou, Demetra S.M., Manta, Stella, Zographos, Spyros E., Molfeta, Christina, Archontis, Georgios, Agius, Loranne et al (2014) Structure based inhibitor design targeting glycogen phosphorylase b. Virtual screening, synthesis, biochemical and biological assessment of novel N-acyl-β-d-glucopyranosylamines. Bioorganic & Medicinal Chemistry, 22 (17). pp. 4810-4825. ISSN 0968-0896

Tsitsanou, Katerina E., Hayes, Joseph ORCID: 0000-0002-7745-9616, Keramioti, Maria, Mamais, Michalis, Oikonomakos, Nikos G., Kato, Atsushi, Leonidas, Demetres D. and Zographos, Spyros E. (2013) Sourcing the affinity of flavonoids for the glycogen phosphorylase inhibitor site via crystallography, kinetics and QM/MM-PBSA binding studies: Comparison of chrysin and flavopiridol. Food and Chemical Toxicology, 61 . pp. 14-27. ISSN 0278-6915

Manta, Stella, Xipnitou, Andromachi, Kiritsis, Christos, Kantsadi, Anastassia L., Hayes, Joseph ORCID: 0000-0002-7745-9616, Skamnaki, Vicky T., Lamprakis, Christos, Kontou, Maria, Zoumpoulakis, Panagiotis et al (2012) 3′-Axial CH2OH Substitution on Glucopyranose does not Increase Glycogen Phosphorylase Inhibitory Potency. QM/MM-PBSA Calculations Suggest Why. Chemical Biology & Drug Design, 79 (5). pp. 663-673. ISSN 17470277

Kantsadi, Anastasia L., Hayes, Joseph ORCID: 0000-0002-7745-9616, Manta, Stella, Skamnaki, Vicky T., Kiritsis, Christos, Psarra, Anna-Maria G., Koutsogiannis, Zissis, Dimopoulou, Athina, Theofanous, Stavroula et al (2012) The σ-Hole Phenomenon of Halogen Atoms Forms the Structural Basis of the Strong Inhibitory Potency of C5 Halogen Substituted Glucopyranosyl Nucleosides towards Glycogen Phosphorylase b. ChemMedChem, 7 (4). pp. 722-732. ISSN 18607179

Drakou, C.E., Malekkou, A., Hayes, Joseph ORCID: 0000-0002-7745-9616, Lederer, C.W., Leonidas, D.D., Oikonomakos, N.G., Lamond, A.I., Santama, N. and Zographos, S.E. (2012) hCINAP is an atypical mammalian nuclear adenylate kinase with an ATPase motif: Structural and functional studies. Proteins: Structure, Function and Bioinformatics, 80 (1). pp. 206-220. ISSN 08873585

Tsirkone, Vicky G., Tsoukala, Evangelia, Lamprakis, Christos, Manta, Stella, Hayes, Joseph ORCID: 0000-0002-7745-9616, Skamnaki, Vicky T., Drakou, Christina, Zographos, Spyros E., Komiotis, Dimitri et al (2010) 1-(3-Deoxy-3-fluoro-β-d-glucopyranosyl) pyrimidine derivatives as inhibitors of glycogen phosphorylase b: Kinetic, crystallographic and modelling studies. Bioorganic & Medicinal Chemistry, 18 (10). pp. 3413-3425. ISSN 09680896

Hayes, Joseph ORCID: 0000-0002-7745-9616, Skamnaki, Vicky T., Archontis, Georgios, Lamprakis, Christos, Sarrou, Josephine, Bischler, Nicolas, Skaltsounis, Alexios-Leandros, Zographos, Spyros E. and Oikonomakos, Nikos G. (2010) Kinetics, in silico docking, molecular dynamics, and MM-GBSA binding studies on prototype indirubins, KT5720, and staurosporine as phosphorylase kinase ATP-binding site inhibitors: The role of water molecules examined. Proteins: Structure, Function, and Bioinformatics, 79 (3). pp. 703-719. ISSN 08873585

Hayes, Joseph ORCID: 0000-0002-7745-9616 and Leonidas, Demetres D. (2010) Computation as a tool for glycogen phosphorylase inhibitor design. Mini-Reviews in Medicinal Chemistry, 10 (12). pp. 1156-1174. ISSN 1389-5575

Dossi, Kyriaki, Tsirkone, Vicky G., Hayes, Joseph ORCID: 0000-0002-7745-9616, Matoušek, Josef, Poučková, Pavla, Souček, Josef, Zadinova, Marie, Zographos, Spyros E. and Leonidas, Demetres D. (2009) Mapping the ribonucleolytic active site of bovine seminal ribonuclease. The binding of pyrimidinyl phosphonucleotide inhibitors. European Journal of Medicinal Chemistry, 44 (11). pp. 4496-4508. ISSN 02235234

Benltifa, M., Hayes, Joseph ORCID: 0000-0002-7745-9616, Vidal, S., Gueyrard, D., Goekjian, P.G., Praly, J.-P., Kizilis, G., Tiraidis, C., Alexacou, K.-M. et al (2009) Glucose-based spiro-isoxazolines: A new family of potent glycogen phosphorylase inhibitors. Bioorganic and Medicinal Chemistry, 17 (20). pp. 7368-7380. ISSN 09680896

Wen, Xiaoan, Sun, Hongbin, Liu, Jun, Cheng, Keguang, Zhang, Pu, Zhang, Liying, Hao, Jia, Zhang, Luyong, Ni, Peizhou et al (2008) Naturally Occurring Pentacyclic Triterpenes as Inhibitors of Glycogen Phosphorylase: Synthesis, Structure−Activity Relationships, and X-ray Crystallographic Studies†. Journal of Medicinal Chemistry, 51 (12). pp. 3540-3554. ISSN 0022-2623

Alexacou, K.-M., Hayes, Joseph ORCID: 0000-0002-7745-9616, Tiraidis, C., Zographos, S.E., Leonidas, D.D., Chrysina, E.D., Archontis, G., Oikonomakos, N.G., Paul, J.V. et al (2008) Crystallographic and computational studies on 4-phenyl-N-(β-D-glucopyranosyl)-1H-1,2,3-triazole-1-acetamide, an inhibitor of glycogen phosphorylase: Comparison with α-D-glucose, N-acetyl-β-D-glucopyranosylamine and N-benzoyl-N′-β-D-glucopyranosyl urea binding. Proteins: Structure, Function and Genetics, 71 (3). pp. 1307-1323. ISSN 08873585

Hayes, Joseph ORCID: 0000-0002-7745-9616, Viciano, M., Peris, E., Ujaque, G. and Lledós, A. (2007) Mechanism of formation of silver N-heterocyclic carbenes using silver oxide: A theoretical study. Organometallics, 26 (25). pp. 6170-6183. ISSN 02767333

Ragusa, A., Hayes, Joseph ORCID: 0000-0002-7745-9616, Light, M.E. and Kilburn, J.D. (2007) A combined computational and experimental approach for the analysis of the enantioselective potential of a new macrocyclic receptor for N-protected α-amino acids. Chemistry - A European Journal, 13 (9). pp. 2717-2728. ISSN 09476539

Ragusa, A., Hayes, Joseph ORCID: 0000-0002-7745-9616, Light, M.E. and Kilburn, J.D. (2006) Predicting enantioselectivity: Computation as an efficient "experimental" tool for probing enantioselectivity. European Journal of Organic Chemistry, 2006 (16). pp. 3545-3549. ISSN 1434193X

Ragusa, A., Rossi, S., Hayes, Joseph ORCID: 0000-0002-7745-9616, Stein, M. and Kilburn, J.D. (2005) Novel enantioselective receptors for N-protected glutamate and aspartate. Chemistry - A European Journal, 11 (19). pp. 5674-5688. ISSN 09476539

Norton, S.H., Bachrach, S.M. and Hayes, Joseph ORCID: 0000-0002-7745-9616 (2005) Theoretical study of nucleophilic substitution at sulfur in sulfinyl derivatives. Journal of Organic Chemistry, 70 (15). pp. 5896-5902. ISSN 00223263

Hayes, Joseph ORCID: 0000-0002-7745-9616, Greer, J.C. and Morton-Blake, D.A. (2004) A force-field description of short-range repulsions for high density alkane molecular dynamics simulations. Journal of Computational Chemistry, 25 (16). pp. 1953-1966. ISSN 01928651

Hayes, Joseph ORCID: 0000-0002-7745-9616, Stein, M. and Weiser, J. (2004) Accurate Calculations of Ligand Binding Free Energies: Chiral Separation with Enantioselective Receptors. Journal of Physical Chemistry A, 108 (16). pp. 3572-3580. ISSN 10895639

Hayes, Joseph ORCID: 0000-0002-7745-9616 and Bachrach, S.M. (2003) Effect of micro and bulk solvation on the mechanism of nucleophilic substitution at sulfur in disulfides. Journal of Physical Chemistry A, 107 (39). pp. 7952-7961. ISSN 1089-5639

Hayes, Joseph ORCID: 0000-0002-7745-9616 and Greer, J.C. (2002) Extraction of analytical potential function parameters from ab initio potential energy surfaces and analytical forces. Computer Physics Communications, 147 (3). pp. 803-825. ISSN 00104655

Bachrach, S.M., Hayes, Joseph ORCID: 0000-0002-7745-9616, Dao, T. and Mynar, J.L. (2002) Density functional theory gas- and solution-phase study of nucleophilic substitution at di- and trisulfides. Theoretical Chemistry Accounts, 107 (5). pp. 266-271. ISSN 1432881X

Hayes, Joseph ORCID: 0000-0002-7745-9616, Greer, J.C. and Mair, F.S. (2001) Amidolithium-mediated enolization: Does proton transfer occur via a dimer intermediate with bridging carbonyls? New Journal of Chemistry, 25 (2). pp. 262-267. ISSN 11440546

Bachrach, S.M., Hayes, Joseph ORCID: 0000-0002-7745-9616, Check, C.E. and Sunderlin, L.S. (2001) Potential energy surface of SOCl3 -. Journal of Physical Chemistry A, 105 (41). pp. 9595-9597. ISSN 10895639