Explore a selection of Dr. Xue’s publications below.

  1. Yang, W.; Coutinho, A.; L.; Jiang, C.; Xue, F. “Ligand-Free Copper-Mediated N-Arylation of Spirocyclic Keto-Lactams” Tetrahedron Lett. 2015, in press.
  2. Zhao, J.; Chen. X.; Le, J.; Yang, W.; Xue, F.; Zhang, X.; Jiang, C. “Cu-Mediated Direct Regiose-lective C-2 Chlorination of Indoles” Org. Biomol. Chem. 2015, 13(34), 9000-9004.
  3. Holden, J. K.; Dejam, D.; Lewis M. C.; Huang, H.; Kang, S.; Jing, Q.; Xue, F.; Silverman, R. B.; Poulos, T. L. “Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase” Biochemistry 2015, 54, 4075-4082.
  4. Yang, W.; Sun, X.; Yu, W.; Rai, R.; Deschamps, J. R.; Mitchell, L. A.; Jiang, C.; MacKerell, Jr., A. D.; Xue, F. “Facile Synthesis of Spirocyclic Lactams from β-Keto Carboxylic Acids” Org. Lett. 2015, 17, 3070-3073.
  5. Lakkaraju, S. K.; Mbatia, H.; Hanscom, M.; Zhao, Z.; Wu, J.; Stoica, B.; MacKerell, Jr., A. D.; Faden, A. I.; Xue, F. “Cyclopropyl-Containing Positive Allosteric Modulators of Metabotropic Glutamate Receptor Subtype 5” Bioorg. Med. Chem. Lett. 2015, 25, 2275-2279.
  6. He, X.; Lakkaraju, S. K.; Hanscom, M.; Zhao, Z.; Wu, J.; Stoica, B.; MacKerell, Jr., A. D.; Faden, A. I.; Xue, F. “Acyl-2-Aminobenzimidazoles: A Novel Class of Neuroprotective Agents Targeting mGluR5” Bioorg. Med. Chem. 2015, 23, 2211-2220.
  7. Li, T.; He. X.; Thomas, J. M.; Yang, D.; Zhong, S.; Xue, F.; Smith, W. “A Novel GTP-Binding Inhibitor, FX2149, Attenuates LRRK2 Toxicity in Parkinson’s Disease Models” PlusOne 2015, 10: e0122461.
  8. He, X.; Aglio, T.; Deschamps, J. R.; Rai, R.; Xue, F. “Synthesis of 1,2-Dihydro-2-Oxo-4-Quinolinyl Phosphates From 2-Acyl-Benzoic Acids” Tetrahedron Lett. 2015, 56, 1441-1444.
  9. He, X.; Kassab, S. E.; Heinzl, G.; Xue, F. “Base-Catalyzed One-Step Synthesis of 5,7-Disubstituted-1,2,4-Triazolo[1,5-a]pyrimidines” Tetrahedron Lett. 2015, 56, 1034-1037.
  10. Holden, J.; Kang, S.; Hollingsworth, S.; Li, H.; Lim, N.; Chen, S.; Huang, H.; Xue, F.; Tang, W.; Silverman, R.; Poulos, T. “Structure-Based Design of Bacterial Nitric Oxide Synthase Inhibitors” J. Med. Chem. 2015, 58, 994-1004.
  11. Loane, D. J.; Stoica, B. A.; Tchantchou, F.; Kumar, A.; Barrett, J. P.; Akintola, T.; Xue, F.; Conn, P. J.; Faden, A. I. “Novel mGluR5 Positive Allosteric ModulatorImproves Functional Recovery, Attenuates Neurodegeneration,and Alters Microglial Polarization after Experimental TraumaticBrain Injury” Neurotherapeutics, 2014, 11, 857-869.
  12. Li, T.; Yang, D.; Zhong, S.; Thomas, J. M.; Xue, F.; Liu, J.; Kong, L.; Voulalas, P.; Hassan, H. E.; Park, J. S.; MacKerell, Jr., A. D.; Smith, W. W. “Novel LRRK2 GTP-binding Inhibitors Reduced Degeneration in Parkinson’s Disease Cell and Mouse Models” Hum. Mol. Genet. 2014, 23, 6212-6222.
  13. Sun, X.; Rai, R.; MacKerell, Jr., A. D.; Faden, A. I.; Xue, F. “Facile One-Step Synthesis of 2,5-Diketopiperazines” Tetrahedron Lett. 2014, 55, 1905-1908.
  14. He, X.; Xue, F. “Transition-Metal-Free Synthesis of (Z)-3-Ylidenephthalides from 2-Acyl-Benzoic Acids” Tetrahedron Lett. 2014, 55, 1956-1958.
  15. Xue, F.; Stoica, B. A.; Hanscom, M.; Kabadi, S. V.; Faden, A. I. “Positive Allosteric Modulators (PAMs) of Metabotropic Glutamate Receptor 5 (mGluR5) Attenuate Microglial Activation” CNS & Neurol. Disord. Drug Targets 2014, 13, 558-566.
  16. Kao, J. P. Y.; Muralidharan, S.; Zavalij, P. Y.; Fletcher, S.; Xue, F.; Rosen, G. M. “Baeyer-Villiger Rearrangement of a Substituted Pyrrole by Oxone” Tetrahedron Lett. 2014, 55, 3111-3113.
  17. Sun, X.; Rai, R.; Deschamps, J. R.; MacKerell, Jr., A. D.; Faden, A. I.; Xue, F. “Boc-Protected 1-(3-Oxocycloalkyl)ureas via a One-Step Curtius Rearrangement: Mechanism and Scope”  Tetrahedron Lett. 2014, 55, 842-844.
  18. Hatzi, K.; Jiang, Y.; Huang, C.; Garrett-Bakelman, F.; Gearhart, M. D.; Giannopoulou, E. G.; Zumbo, P.; Kirouac, K.; Bhaskara, S.; Polo, J. M.; Kormaksson, M.; MacKerell, Jr., A. D.; Xue, F.; Mason, C. E.; Hiebert, S. W.; Prive, G. G.; Cerchietti, L.; Bardwell, V. J.; Elemento, O.; Melnick, A. “A Hybrid Mechanism of Action for BCL6 in B Cells Defined by Formation of Functionally Distinct Complexes at Enhancers and Promoter” Cell Reports, 2013, 4, 573-588.
  19. Lakkaraju, S. K.; Xue, F.; MacKerell, Jr., A. D. “Estimation of Ligand Efficacies of Metabotropic Glutamate Receptors from Conformational Forces Obtained from Molecular Dynamics Simulations” J. Chem. Info. Model. 2013, 53, 1337-1349.
  20. Hom, K.; Heinzl, G. A.; Suntara, E.; Pedro, L.; Xue, F.; MacKerell, Jr., A. D.; Wilks, A. “Small Molecule Antivirulents Targeting the Iron-Regulated Heme Oxygenase (HemO) of P. AeruginsaJ. Med. Chem. 2013, 54, 1700-1703.
  21. Xue, F.; Stoica, B. A.; Hanscom, M.; Kabadi, S. V.; Faden, A. I. “Positive Allosteric Modulators (PAMs) of Metabotropic Glutamate Receptor 5 (mGluR5) Attenuate Microglial Activation” CNS & Neurol. Disord. Drug Targets 2013, accepted.
  22. Shanthi, N.; Xue, F.; MacKerell, Jr., A. D. “Impact of Substrate Protonation and Tautomerization States on Interactions with the Active Site of Arginase I” J. Chem. Info. Model. 2013, 53, 452-460. (Cover Article)
  23. Xue, F.; MacKerell, Jr., A. D.; Heinzl, G.; Hom, K. “Room Temperature Catalyst-Free Knoevenagel Condensation: Facile Access to Isatinylidenerhodanines” Tetrahedron Lett. 2013, 54, 1700-1703.
  24. Li, H.; Xue, F.; Kraus, J. M.; Ji, H.; Labby, K. J.; Mataka, J.; Delker, S. L.; Martasek, P.; Roman, L. J.; Poulos, T. L.; Silverman, R. B. “Cyclopropyl- and Methyl-Containing Inhibitors of Neuronal Nitric Oxide Synthase” Bioorg. Med. Chem. 2013, 21, 1333-1343.
  25. Labby, K. J.; Xue, F.; Kraus, J. M.; Ji, H.; Mataka, J.; Li, H.; Martasek, P.; Roman, L.; Poulos, T. L.; Silverman, R. B. “Intramolecular Hydrogen Bonding: A Potential Strategy for More Bioavailable Inhibitors of Neuronal Nitric Oxide Synthase ” Bioorg. Med. Chem. 2012, 20, 2435-2443.
  26. Xue, F.; Fraus, J.; Labby, K. J.; Li, H.; Ji, H.; Mataka, J.; Poulos, T. L.; Silverman, R. B. “Improved Synthesis of Chiral Pyrrolidine Inhibitors and Their Binding Properties to Neuronal Nitric Oxide Synthase.”  J. Med. Chem. 2011, 54, 6399-6403.
  27. Xue, F.; Delker, S. L.; Li, H.; Fang, J.; Jamal, J.; Silverman, R. B.; Poulos, T. L. “Symmetric Double-Headed Aminopyridines, A Novel Strategy for Potent and Membrane-Permeable Inhibitors of Neuronal Nitric Oxide Synthase.”  J. Med. Chem. 2011, 54, 2039-2048.
  28. Atia, A.; Fernand, G.-P.; Hébuterne, X.; Spies, W.; Guardiola, A.; Ahn, C.; Fryer, J.; Xue, F.; Englyst, K.; Buchman, A. L. “Pectin Supplementation Increases Colonic Short Chain Fatty Acid (SCFA) Production in Patients with Short Bowel Syndrome (SBS).”  JPEN, 2011, 35, 229-240.
  29. Xue, F.; Seto, C. T. “Kinetic Delay of Cyclization/Elimination-Coupled Enzyme Assays: Analysis and Solution.”  Bioorg. Med. Chem. Lett., 2011, 21, 1069-1071.
  30. Delker, S. L.; Xue, F.; Li, H.; Jamal, J.; Silverman, R. B.; Poulos, T. L. “The Role of Zinc in Isoform-Selective Inhibitors for Nitric Oxide Synthase.” Biochemistry, 2010, 49, 10803-10810 (highlighted on the homepage of Biochemistry).
  31. Xue, F.; Li, H.; Fang, J.; Poulos, T. L.; Silverman, R. B. “Potent, Highly Selective, and Orally Bioavailable Gem-Difluorinated Monocationic Inhibitors of Neuronal Nitric Oxide Synthase.”  J. Am. Chem. Soc. 2010, 132, 14229-14238.
  32. Xue, F.; Li, H.; Fang, J.; Poulos, T. L.; Silverman, R. B. “Peripheral but Crucial: the Hydrophobic Pocket (Tyr706, Leu337, and Met336) for Potent and Selective Inhibition of Neuronal Nitric Oxide Synthase.”  Bioorg. Med. Chem. Lett. 2010, 20, 6258-6261.
  33. Xue, F.; Huang, J.; Li, H.; J.; Ji, H.; Fang, J.; Poulos T, L.; Silverman, R. B. “Structure-Based Design, Synthesis, and Biological Evaluation of Lipophilic-Tailed Monocationic Inhibitors of Neuronal Nitric Oxide Synthase.”  Bioorg. Med. Chem. 2010, 18, 6526-6537.
  34. Xue, F.; Seto, C. T. “Fluorescent Probes to Study Serine/Threonine Phosphatase.”  Org. Lett. 2010, 12, 1936-1939.
  35. Delker, S. L.; Ji, H.; Li, H.; Jamal, J.; Fang, J.; Xue, F.; Silverman, R. B.; Poulos, T. L. “Unexpected Binding Modes of Nitric Oxide Synthase Inhibitors Effective in the Prevention of Cerebral Palsy.”  J. Am. Chem. Soc. 2010, 132, 5437-5442.
  36. Xue, F.; Silverman, R. B. “An Alkoxide Anion-triggered tert-Butyloxycarbonyl Group Migration.  Mechanism and Application.”  Tetrahedron Lett. 2010, 51, 2536-2538.
  37. Xue, F.; Fang, J.; Lewis, W. W.; Martasek, P.; Roman, L. J.; Silverman, R. B. “Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors with Improved Cellular Permeability.”  Bioorg. Med. Chem. Lett. 2010, 20, 554-557.
  38. Xue, F.; Gu, W.; Silverman, R. B. “A Concise Route to the Chiral Pyrrolidine Core of Selective Inhibitors of Neuronal Nitric Oxide Synthase.”  Org. Lett. 2009, 11, 5194-5197.
  39. Fang, J.; Ji, H.; Lawton, G.; Xue, F.; Roman, L.; Silverman, R. B. “L337H Mutant of Rat Neuronal Nitric Oxide Synthase Resembles Human Neuronal Nitric Oxide Synthase Toward Inhibitors.”  J. Med. Chem. 2009, 52, 4533-4537.
  40. Xue, F.; Seto, C. T. “Macrocyclic Inhibitors of the Serine Protease Plasmin.”  J. Enzyme Inhib. Med. Chem. 2009, 24, 779-794.
  41. Lawton, G. R.; Ranaivo, H. R.; Wing, L. K.; Ji, H.; Xue, F.; Martesek, P.; Roman, L. J.; Watterson, D. M.; Silverman, R. B. “Analogues of 2-Aminopyridine-Based Selective Inhibitors of Neuronal Nitric Oxide Synthase with Increased Bioavailability.”  Bioorg. Med. Chem. 2009, 17, 2371-2380.
  42. Ji, H.; Erdal, E. P.; Litzinger, E. A.; Seo, J.; Zhu, Y.; Xue, F.; Fang, J.; Huang, J.; Silverman, R. B. “Selective Neuronal Nitric Oxide Synthase Inhibitors.”  Frontiers in Medicinal Chemistry, Reitz, A. B.; Choudhary, M. I.; Atta-ur-Rahman, Editors; Bentham Science Publishers, Volume 4, 2009, 842-882.
  43. Hassanein, M.; Xue, F.; Seto, C. T.; Mason, R. W. “Development of a Specific Inhibitor for the Placental Protease, Cathepsin P.”  Arch. Biochem. Biophys. 2007, 464, 288-294.
  44. Xue, F.; Seto, C. T. “Structure-Activity Studies of Inhibitors for the Serine Protease Plasmin: Design, Synthesis, and Biological Activity.”  Bioorg. Med. Chem. 2006, 14, 8467-8487.
  45. Fei, J.; Basu, A.; Xue, F.; Palmore, G. T. R. “Two Polymerizable Derivatives of 2,2’-Azino-bis(3-ethylbenzthiazoline-6-sulfonic acid).”  Org. Lett. 2006, 8, 3-6.
  46. Xue, F.; Seto, C. T. “A Comparison of Cyclohexanone and Tetrahydro-4H-thiopyran-4-one 1,1-dioxide as Pharmacophores for the Design of Peptide-Based Inhibitors of the Serine Protease Plasmin.”  J. Org. Chem. 2005, 70, 8309-8321.
  47. Xue, F.; Seto, C. T. “Selective Inhibitors of the Serine Protease Plasmin:  Probing the S3 and S3’ Subsites Using a Combinatorial Library.”  J. Med. Chem. 2005, 68, 6908-6817.