Naturally occurring pentacyclic triterpenes as inhibitors of glycogen phosphorylase: synthesis, structure− activity relationships, and X-ray crystallographic studies X Wen, H Sun, J Liu, K Cheng, P Zhang, L Zhang, J Hao, L Zhang, P Ni, ... Journal of Medicinal Chemistry 51 (12), 3540-3554, 2008 | 243 | 2008 |
New inhibitors of glycogen phosphorylase as potential antidiabetic agents L Somsák, K Czifrák, M Tóth, E Bokor, ED Chrysina, KM Alexacou, ... Current medicinal chemistry 15 (28), 2933-2983, 2008 | 218 | 2008 |
MM-GB (PB) SA calculations of protein-ligand binding free energies JM Hayes, G Archontis Molecular dynamics-studies of synthetic and biological macromolecules, 171-190, 2012 | 147 | 2012 |
Natural products and their derivatives as inhibitors of glycogen phosphorylase: potential treatment for type 2 diabetes JM Hayes, AL Kantsadi, DD Leonidas Phytochemistry Reviews 13, 471-498, 2014 | 110 | 2014 |
Kinetics, in silico docking, molecular dynamics, and MM‐GBSA binding studies on prototype indirubins, KT5720, and staurosporine as phosphorylase kinase ATP … JM Hayes, VT Skamnaki, G Archontis, C Lamprakis, J Sarrou, N Bischler, ... Proteins: Structure, Function, and Bioinformatics 79 (3), 703-719, 2011 | 109 | 2011 |
Glucose-based spiro-isoxazolines: A new family of potent glycogen phosphorylase inhibitors M Benltifa, JM Hayes, S Vidal, D Gueyrard, PG Goekjian, JP Praly, ... Bioorganic & medicinal chemistry 17 (20), 7368-7380, 2009 | 99 | 2009 |
Mechanism of Formation of Silver N-Heterocyclic Carbenes Using Silver Oxide: A Theoretical Study JM Hayes, M Viciano, E Peris, G Ujaque, A Lledós Organometallics 26 (25), 6170-6183, 2007 | 94 | 2007 |
Survivin, Survivin-2B, and Survivin-deItaEx3 expression in medulloblastoma: biologic markers of tumour morphology and clinical outcome JR Fangusaro, Y Jiang, MP Holloway, H Caldas, V Singh, DR Boue, ... British journal of cancer 92 (2), 359-365, 2005 | 93 | 2005 |
Novel enantioselective receptors for N‐protected glutamate and aspartate A Ragusa, S Rossi, JM Hayes, M Stein, JD Kilburn Chemistry–A European Journal 11 (19), 5674-5688, 2005 | 86 | 2005 |
1-(3-Deoxy-3-fluoro-β-D-glucopyranosyl) pyrimidine derivatives as inhibitors of glycogen phosphorylase b: Kinetic, crystallographic and modelling studies VG Tsirkone, E Tsoukala, C Lamprakis, S Manta, JM Hayes, VT Skamnaki, ... Bioorganic & medicinal chemistry 18 (10), 3413-3425, 2010 | 69 | 2010 |
Toward rational design of selective molecularly imprinted polymers (MIPs) for proteins: computational and experimental studies of acrylamide based polymers for myoglobin MV Sullivan, SR Dennison, G Archontis, SM Reddy, JM Hayes The Journal of Physical Chemistry B 123 (26), 5432-5443, 2019 | 66 | 2019 |
The σ‐Hole Phenomenon of Halogen Atoms Forms the Structural Basis of the Strong Inhibitory Potency of C5 Halogen Substituted Glucopyranosyl Nucleosides towards Glycogen … AL Kantsadi, JM Hayes, S Manta, VT Skamnaki, C Kiritsis, AMG Psarra, ... ChemMedChem 7 (4), 722-732, 2012 | 63 | 2012 |
Theoretical reassessment of Whelk‐O1 as an enantioselective receptor for 1‐(4‐halogeno‐phenyl)‐1‐ethylamine derivatives A Del Rio, JM Hayes, M Stein, P Piras, C Roussel Chirality: The Pharmacological, Biological, and Chemical Consequences of …, 2004 | 61 | 2004 |
Aromatic stacking facilitated self-assembly of ultrashort ionic complementary peptide sequence: β-sheet nanofibers with remarkable gelation and interfacial properties JK Wychowaniec, R Patel, J Leach, R Mathomes, V Chhabria, Y Patil-Sen, ... Biomacromolecules 21 (7), 2670-2680, 2020 | 56 | 2020 |
Accurate calculations of ligand binding free energies: Chiral separation with enantioselective receptors JM Hayes, M Stein, J Weiser The Journal of Physical Chemistry A 108 (16), 3572-3580, 2004 | 54 | 2004 |
Effect of micro and bulk solvation on the mechanism of nucleophilic substitution at sulfur in disulfides JM Hayes, SM Bachrach The Journal of Physical Chemistry A 107 (39), 7952-7961, 2003 | 52 | 2003 |
Antihypertensive Drug Valsartan in Solution and at the AT1 Receptor: Conformational Analysis, Dynamic NMR Spectroscopy, in Silico Docking, and Molecular … C Potamitis, M Zervou, V Katsiaras, P Zoumpoulakis, S Durdagi, ... Journal of chemical information and modeling 49 (3), 726-739, 2009 | 51 | 2009 |
Phytogenic polyphenols as glycogen phosphorylase inhibitors: the potential of triterpenes and flavonoids for glycaemic control in type 2 diabetes G A Stravodimos, B A Chetter, E Kyriakis, A L Kantsadi, ... Current medicinal chemistry 24 (4), 384-403, 2017 | 48 | 2017 |
Computation as a tool for glycogen phosphorylase inhibitor design J M Hayes, D D Leonidas Mini Reviews in Medicinal Chemistry 10 (12), 1156-1174, 2010 | 47 | 2010 |
Sourcing the affinity of flavonoids for the glycogen phosphorylase inhibitor site via crystallography, kinetics and QM/MM-PBSA binding studies: comparison of chrysin and … KE Tsitsanou, JM Hayes, M Keramioti, M Mamais, NG Oikonomakos, ... Food and chemical toxicology 61, 14-27, 2013 | 40 | 2013 |