A L Parrill

Summary

Affiliation: University of Memphis
Country: USA

Publications

  1. ncbi request reprint Synthesis and pharmacological evaluation of second-generation phosphatidic acid derivatives as lysophosphatidic acid receptor ligands
    Gangadhar G Durgam
    Department of Pharmaceutical Sciences, College of Pharmacy, University of Tennessee Health Science Center, Memphis, TN 38163, USA
    Bioorg Med Chem Lett 16:633-40. 2006
  2. pmc Structural Characterization of an LPA1 Second Extracellular Loop Mimetic with a Self-Assembling Coiled-Coil Folding Constraint
    John K Young
    Department of Chemistry and Computational Research on Materials Institute, The University of Memphis, Memphis, TN 38152 3550, USA
    Int J Mol Sci 14:2788-807. 2013
  3. doi request reprint Computational design and experimental characterization of GPCR segment models
    Abby L Parrill
    Department of Chemistry, The University of Memphis, Memphis, Tennessee, USA
    Methods Enzymol 522:81-95. 2013
  4. pmc Integrating the puzzle pieces: the current atomistic picture of phospholipid-G protein coupled receptor interactions
    Abby L Parrill
    Department of Chemistry, The University of Memphis, Memphis, TN 38152, USA
    Biochim Biophys Acta 1831:2-12. 2013
  5. doi request reprint Comparative modeling of lipid receptors
    Abby L Parrill
    Department of Chemistry, The University of Memphis, Memphis, TN, USA
    Methods Mol Biol 914:207-18. 2012
  6. pmc Structure of the first sphingosine 1-phosphate receptor
    Abby L Parrill
    Department of Chemistry, The University of Memphis, 213 Smith Chemistry Building, Memphis, TN 38152, USA
    Sci Signal 5:pe23. 2012
  7. pmc Computational identification and experimental characterization of substrate binding determinants of nucleotide pyrophosphatase/phosphodiesterase 7
    Abby L Parrill
    Department of Chemistry and the Computational Research on Materials Institute, The University of Memphis, Memphis, TN 38152, USA
    BMC Biochem 12:65. 2011
  8. pmc A single amino acid determines preference between phospholipids and reveals length restriction for activation of the S1P4 receptor
    Gill Holdsworth
    Department of NCE Biology, Celltech R and D Ltd, 216 Bath Road, Slough, Berks, SL1 4EN, U K
    BMC Biochem 5:12. 2004
  9. pmc Autotaxin inhibitors: a perspective on initial medicinal chemistry efforts
    Abby L Parrill
    The University of Memphis, Department of Chemistry, Memphis, TN 38152, USA
    Expert Opin Ther Pat 20:1619-25. 2010
  10. pmc Lysophosphatidic acid receptor agonists and antagonists (WO2010051053)
    Abby L Parrill
    The University of Memphis, Department of Chemistry, Memphis, TN 38152, USA
    Expert Opin Ther Pat 21:281-6. 2011

Collaborators

  • Gabor J Tigyi
  • Daniel L Baker
  • James R Van Brocklyn
  • John K Young
  • D Wang
  • Sarah Spiegel
  • T W Sweatman
  • L Lothstein
  • Wolfgang Siess
  • Seema Khurana
  • Takayuki Kohno
  • Gill Holdsworth
  • G Milligan
  • Debra L Bautista
  • Hugh Rosen
  • TIMOTHY T HLA
  • Y Igarashi
  • James I Fells
  • Yuko Fujiwara
  • Ryoko Tsukahara
  • Truc Chi T Pham
  • Daniel A Osborne
  • E Jeffrey North
  • William J Valentine
  • Adrienne B Hoeglund
  • Jianxiong Liu
  • Angela L Howard
  • Irene W Wanjala
  • Donna H Perygin
  • Vineet M Sardar
  • Mor M Naor
  • Michelle D Walker
  • Wenlin Deng
  • Duane D Miller
  • Kazuaki Yokoyama
  • Tamotsu Tsukahara
  • Kimiko Murakami-Murofushi
  • Tamas Virag
  • Jesica R Williams
  • Louisa Balazs
  • Gangadhar G Durgam
  • Gangadhar Durgam
  • Euijung Jo
  • Karoly Liliom
  • Yuichi Inagaki
  • Narendra Kumar
  • J Brent Roaten
  • Hetal Mishra
  • Hongbin Yuan
  • J B Roaten
  • D J Fischer
  • Ayako Uchiyama
  • Junming Yue
  • Gyongyi N Kiss
  • Alyssa Bolen
  • Huazhang Guo
  • Michael D Best
  • Truc Chi Pham
  • Guangwei Du
  • Nigel J Pyne
  • Mari Gotoh
  • Xuequan Lu
  • Robert Bittman
  • Chaode Sun
  • Michael A Frohman
  • Yunhui Cheng
  • Heidi E Bostic
  • Fabio Re
  • Tetsuyuki Kobayashi
  • Chunxiang Zhang
  • Shuyu E
  • Pankaj Goyal
  • Anna L Khandoga
  • Peter K Bridson
  • Sana Mujahid
  • Lester VanMiddlesworth
  • Marcello Arsura
  • Veeresa Gududuru
  • Richard W Kriwacki
  • Leonard R Johnson
  • E Shuyu
  • Venkatraman Manickam
  • Natalia Makarova
  • Kathryn R Pigg
  • M Germana Sanna
  • Trucchi T Pham
  • Pedro J Gonzalez-Cabrera
  • Shobha Thangada
  • Alok Tomar
  • Don B Elrod

Detail Information

Publications47

  1. ncbi request reprint Synthesis and pharmacological evaluation of second-generation phosphatidic acid derivatives as lysophosphatidic acid receptor ligands
    Gangadhar G Durgam
    Department of Pharmaceutical Sciences, College of Pharmacy, University of Tennessee Health Science Center, Memphis, TN 38163, USA
    Bioorg Med Chem Lett 16:633-40. 2006
    ..Serinediamide phosphate 19b was identified as an LPA(3) receptor specific antagonist with no effect on LPA(1), LPA(2), and PPARgamma...
  2. pmc Structural Characterization of an LPA1 Second Extracellular Loop Mimetic with a Self-Assembling Coiled-Coil Folding Constraint
    John K Young
    Department of Chemistry and Computational Research on Materials Institute, The University of Memphis, Memphis, TN 38152 3550, USA
    Int J Mol Sci 14:2788-807. 2013
    ..The resulting hybrid models were evaluated using docking. Nine different hybrid models interacted with LPA 18:1 as expected, based on prior mutagenesis studies, and one was additionally consistent with antagonist affinity trends...
  3. doi request reprint Computational design and experimental characterization of GPCR segment models
    Abby L Parrill
    Department of Chemistry, The University of Memphis, Memphis, Tennessee, USA
    Methods Enzymol 522:81-95. 2013
    ....
  4. pmc Integrating the puzzle pieces: the current atomistic picture of phospholipid-G protein coupled receptor interactions
    Abby L Parrill
    Department of Chemistry, The University of Memphis, Memphis, TN 38152, USA
    Biochim Biophys Acta 1831:2-12. 2013
    ..This article is part of a Special Issue entitled Advances in Lysophospholipid Research...
  5. doi request reprint Comparative modeling of lipid receptors
    Abby L Parrill
    Department of Chemistry, The University of Memphis, Memphis, TN, USA
    Methods Mol Biol 914:207-18. 2012
    ..This chapter describes the construction and evaluation of comparative structural models of lipid receptors beginning with the selection of template structures...
  6. pmc Structure of the first sphingosine 1-phosphate receptor
    Abby L Parrill
    Department of Chemistry, The University of Memphis, 213 Smith Chemistry Building, Memphis, TN 38152, USA
    Sci Signal 5:pe23. 2012
    ..The S1P₁ crystal structure will be helpful for designing ligands that specifically target S1P₁...
  7. pmc Computational identification and experimental characterization of substrate binding determinants of nucleotide pyrophosphatase/phosphodiesterase 7
    Abby L Parrill
    Department of Chemistry and the Computational Research on Materials Institute, The University of Memphis, Memphis, TN 38152, USA
    BMC Biochem 12:65. 2011
    ..This study utilizes a synergistic combination of molecular modeling validated by experimental site-directed mutagenesis to explore the molecular basis for the unique ability of NPP7 to hydrolyze SM...
  8. pmc A single amino acid determines preference between phospholipids and reveals length restriction for activation of the S1P4 receptor
    Gill Holdsworth
    Department of NCE Biology, Celltech R and D Ltd, 216 Bath Road, Slough, Berks, SL1 4EN, U K
    BMC Biochem 5:12. 2004
    ....
  9. pmc Autotaxin inhibitors: a perspective on initial medicinal chemistry efforts
    Abby L Parrill
    The University of Memphis, Department of Chemistry, Memphis, TN 38152, USA
    Expert Opin Ther Pat 20:1619-25. 2010
    ..Translation of ATX inhibitors from the hands of medicinal chemists to clinical use will require substantially expanded characterization of ATX inhibitors in vivo...
  10. pmc Lysophosphatidic acid receptor agonists and antagonists (WO2010051053)
    Abby L Parrill
    The University of Memphis, Department of Chemistry, Memphis, TN 38152, USA
    Expert Opin Ther Pat 21:281-6. 2011
    ..One of the example compounds was shown to protect intestinal crypt cells from radiation-induced apoptosis in mice when whole body irradiation occurred 2 h after oral dosing...
  11. pmc Crystal structures of a second g protein-coupled receptor: triumphs and implications
    Abby L Parrill
    Department of Chemistry, The University of Memphis, Memphis, TN 38152, USA
    ChemMedChem 3:1021-3. 2008
  12. ncbi request reprint Virtual screening approaches for the identification of non-lipid autotaxin inhibitors
    Abby L Parrill
    Department of Chemistry, The University of Memphis, Memphis, TN 38152, USA
    Bioorg Med Chem 16:1784-95. 2008
    ..The most efficacious compound identified in this study was able to completely inhibit ATX-catalyzed hydrolysis of 1 microM FS-3 (a synthetic, fluorescent LPC analog) at a 10 microM concentration...
  13. pmc Lysophospholipid interactions with protein targets
    Abby L Parrill
    Department of Chemistry, The University of Memphis, Memphis, TN 38152, USA
    Biochim Biophys Acta 1781:540-6. 2008
    ..The direct structural characterization studies are the focus of this review, and provide the insight necessary to stimulate structure-based therapeutic lead discovery efforts in the future...
  14. ncbi request reprint Structural characteristics of lysophosphatidic acid biological targets
    A L Parrill
    Department of Chemistry and Computational Research on Materials Institute CROMIUM, The University of Memphis, Memphis, TN 38152, USA
    Biochem Soc Trans 33:1366-9. 2005
    ..Ion channel targets include the two pore domain ion channels in the TREK family, TREK-1, TREK-2 and TRAAK. Structural features of these targets and their interactions with LPA are reviewed...
  15. ncbi request reprint Autotaxin inhibition: challenges and progress toward novel anti-cancer agents
    Abby L Parrill
    Department of Chemistry, and Computational Research on Materials Institute, The University of Memphis, Smith Chemistry Building, Room 213, Memphis, TN 38152, USA
    Anticancer Agents Med Chem 8:917-23. 2008
    ..These two developments are essential tools for the discovery and optimization of ATX-targeted agents for evaluation as anti-cancer chemotherapeutic agents...
  16. ncbi request reprint HIV-1 integrase inhibition: binding sites, structure activity relationships and future perspectives
    A L Parrill
    Department of Chemistry, The University of Memphis, Memphis, TN 38152, USA
    Curr Med Chem 10:1811-24. 2003
    ..Progress toward this goal is reviewed in the context of experimental and theoretical structural information about integrase...
  17. ncbi request reprint Sphingosine 1-phosphate and lysophosphatidic acid receptors: agonist and antagonist binding and progress toward development of receptor-specific ligands
    Abby L Parrill
    Department of Chemistry and Computational Research on Materials Institute, The University of Memphis, Memphis, TN 38152, USA
    Semin Cell Dev Biol 15:467-76. 2004
    ..Structural insights regarding agonist and antagonist recognition by the receptors from both computational modeling studies and crystallography are also discussed...
  18. ncbi request reprint A single amino acid determines lysophospholipid specificity of the S1P1 (EDG1) and LPA1 (EDG2) phospholipid growth factor receptors
    D A Wang
    Department of Physiology, University of Tennessee Health Sciences Center Memphis, Memphis, Tennessee 38163, USA
    J Biol Chem 276:49213-20. 2001
    ..Thus, computational modeling of these receptors provided valid information necessary for understanding the molecular pharmacology of these receptors...
  19. ncbi request reprint Identification of Edg1 receptor residues that recognize sphingosine 1-phosphate
    A L Parrill
    Department of Chemistry and Computational Research on Materials Institute, University of Memphis, Memphis, Tennessee 38152 6060, USA
    J Biol Chem 275:39379-84. 2000
    ....
  20. ncbi request reprint Short-chain phosphatidates are subtype-selective antagonists of lysophosphatidic acid receptors
    D J Fischer
    Department of Physiology, University of Tennessee Health Science Center, Memphis, Tennessee 38163, USA
    Mol Pharmacol 60:776-84. 2001
    ....
  21. doi request reprint Optimization of a pipemidic acid autotaxin inhibitor
    Adrienne B Hoeglund
    Department of Chemistry, The University of Memphis, Memphis, Tennessee 38152, USA
    J Med Chem 53:1056-66. 2010
    ..The most potent analog displayed an IC(50) of 900 nM with respect to ATX-mediated FS-3 hydrolysis with a K(i) of 700 nM, making this compound approximately 3-fold more potent than the previously described lead...
  22. pmc Autotaxin structure-activity relationships revealed through lysophosphatidylcholine analogs
    E Jeffrey North
    Department of Chemistry and Computational Research on Materials Institute, The University of Memphis, Memphis, TN 38152, USA
    Bioorg Med Chem 17:3433-42. 2009
    ..These findings provide insights into the structure of the enzyme in the vicinity of the catalytic site as well as suggesting that ATX produces rate enhancement, at least in part, by substrate destabilization...
  23. pmc Identification of the hydrophobic ligand binding pocket of the S1P1 receptor
    Yuko Fujiwara
    Department of Physiology, University of Tennessee Health Science Center, Memphis, Tennessee 38163, USA
    J Biol Chem 282:2374-85. 2007
    ....
  24. pmc Molecular recognition in the sphingosine 1-phosphate receptor family
    Truc Chi T Pham
    Department of Chemistry and Computational Research on Materials Institute, The University of Memphis, Memphis, TN 38152, USA
    J Mol Graph Model 26:1189-201. 2008
    ..S1P receptor models are validated for pharmacophore development including database mining and new ligand discovery and serve as tools for ligand optimization to improve potency and selectivity...
  25. doi request reprint Characterization of non-lipid autotaxin inhibitors
    Adrienne B Hoeglund
    Department of Chemistry, The University of Memphis, Memphis, TN, United States
    Bioorg Med Chem 18:769-76. 2010
    ..2microM (K(i)=K(i)(')=6.5microM, non-competitive inhibition) against ATX-mediated pNP-TMP hydrolysis. All six inhibitors were specific for ATX as they were without affect on two additional lipid preferring NPP isoforms...
  26. pmc Unique ligand selectivity of the GPR92/LPA5 lysophosphatidate receptor indicates role in human platelet activation
    Jesica R Williams
    Department of Chemistry and Computational Research on Materials Institute, University of Memphis, Memphis, Tennessee 38152, USA
    J Biol Chem 284:17304-19. 2009
    ..The present results suggest that selective inhibition of LPA(5) may provide a basis for future anti-thrombotic therapies...
  27. doi request reprint Pharmacophore development and application toward the identification of novel, small-molecule autotaxin inhibitors
    E Jeffrey North
    Department of Chemistry, The University of Memphis, Memphis, Tennessee 38152, USA
    J Med Chem 53:3095-105. 2010
    ..Five of these compounds had IC(50) < 1.5 microM and the most potent compound possessed a K(i) of 271 nM...
  28. ncbi request reprint Computational studies of sialyllactones: methods and uses
    A L Parrill
    Department of Chemistry, The University of Arizona, Tucson 85721, USA
    Glycoconj J 14:523-9. 1997
    ..The low-energy conformations generated by this combination of computational methods are pre-organized toward conformations which fit well into the active site of neuraminidase...
  29. ncbi request reprint Molecular basis for lysophosphatidic acid receptor antagonist selectivity
    Vineet M Sardar
    Department of Chemistry and Computational Research on Materials Institute, The University of Memphis, Memphis, TN 38152 6060, USA
    Biochim Biophys Acta 1582:309-17. 2002
    ..The implications of the newly available receptor-subtype selective antagonists are also discussed...
  30. pmc Structure-based drug design identifies novel LPA3 antagonists
    James I Fells
    Department of Chemistry and Computational Research on Materials Institute, The University of Memphis, Memphis, TN 38152, United States
    Bioorg Med Chem 17:7457-64. 2009
    ..The results of the combined computational and experimental screening are reported...
  31. pmc Sphingosine 1-phosphate pKa and binding constants: intramolecular and intermolecular influences
    Mor M Naor
    Department of Chemistry and Computational Research on Materials Institute, The University of Memphis, Memphis, TN 38152, United States
    J Mol Graph Model 26:519-28. 2007
    ..No measurable binding of S1P to the E3.29A and E3.29Q mutants was observed, supporting the critical contacts observed computationally. These results validate the quantitative accuracy of the model...
  32. ncbi request reprint Molecular mechanisms of lysophosphatidic acid action
    Gabor Tigyi
    Department of Physiology, The University of Tennessee Health Science Center, Memphis, TN 38163, USA
    Prog Lipid Res 42:498-526. 2003
  33. pmc Subtype-specific residues involved in ligand activation of the endothelial differentiation gene family lysophosphatidic acid receptors
    William J Valentine
    Department of Physiology, The University of Tennessee Health Science Center, Memphis, Tennessee 38163, USA
    J Biol Chem 283:12175-87. 2008
    ..Surprisingly micromolar concentrations of S1P activated the wild type LPA(2) and LPA(3) receptors, indicating that S1P may function as a weak agonist of endothelial differentiation gene family LPA receptors...
  34. ncbi request reprint Molecular models of N-benzyladriamycin-14-valerate (AD 198) in complex with the phorbol ester-binding C1b domain of protein kinase C-delta
    J B Roaten
    Department of Pharmacology, University of Tennessee College of Medicine, Memphis, Tennessee 38163, USA
    J Med Chem 44:1028-34. 2001
    ..These studies provide a structural basis for the interaction of AD 198 with the deltaC1b domain and a starting point for the rational design of potential new drugs targeting PKC and other proteins with C1 domains...
  35. pmc (S)-FTY720-vinylphosphonate, an analogue of the immunosuppressive agent FTY720, is a pan-antagonist of sphingosine 1-phosphate GPCR signaling and inhibits autotaxin activity
    William J Valentine
    Department of Physiology, University of Tennessee Health Science Center, Memphis, TN 38163, USA
    Cell Signal 22:1543-53. 2010
    ..The biological effects of the (R)- and (S)-FTY720-vinylphosphonate analogues underscore the complexity of FTY720 cellular targets...
  36. pmc 2D binary QSAR modeling of LPA3 receptor antagonism
    James I Fells
    Department of Chemistry and Computational Research on Materials Institute, The University of Memphis, Memphis, TN 38152, United States
    J Mol Graph Model 28:828-33. 2010
    ..The successful application of the model to select candidates for screening demonstrates the power of this binary QSAR model to prioritize compound selection for experimental consideration...
  37. ncbi request reprint Peptide design and structural characterization of a GPCR loop mimetic
    Truc Chi T Pham
    Department of Chemistry and Computational Research on Materials Institute, The University of Memphis, Memphis, TN 38152, USA
    Biopolymers 86:298-310. 2007
    ..We propose that the combination of coiled-coil TM replacement and conformational stabilization with an interhelical disulfide bond is a general design strategy that promotes native-like structure for loops derived from GPCRs...
  38. ncbi request reprint Interaction of the novel anthracycline antitumor agent N-benzyladriamycin-14-valerate with the C1-regulatory domain of protein kinase C: structural requirements, isoform specificity, and correlation with drug cytotoxicity
    J Brent Roaten
    Department of Pharmacology, University of Tennessee College of Medicine, Memphis, Tennessee 38163, USA
    Mol Cancer Ther 1:483-92. 2002
    ....
  39. pmc The lysophosphatidic acid type 2 receptor is required for protection against radiation-induced intestinal injury
    Wenlin Deng
    Department of Physiology, University of Tennessee Health Sciences Center, Memphis, TN 38163, USA
    Gastroenterology 132:1834-51. 2007
    ....
  40. pmc Identification of non-lipid LPA3 antagonists by virtual screening
    James I Fells
    Department of Chemistry and Computational Research on Materials Institute, The University of Memphis, Memphis, TN 38152, USA
    Bioorg Med Chem 16:6207-17. 2008
    ..Similarity searching in the ChemBridge database using the most promising lead as the search target produced four additional LPA(3) antagonists and a potent dual LPA(1&2) antagonist...
  41. ncbi request reprint Functional dissection and molecular characterization of calcium-sensitive actin-capping and actin-depolymerizing sites in villin
    Narendra Kumar
    Department of Physiology, University of Tennessee Health Science Center, Memphis, Tennessee 38163, USA
    J Biol Chem 279:45036-46. 2004
    ..Such mutational analysis and functional characterization of the actin-capping and -depolymerizing sites are unknown for other proteins of the villin family...
  42. pmc Phospholipase D2-dependent inhibition of the nuclear hormone receptor PPARgamma by cyclic phosphatidic acid
    Tamotsu Tsukahara
    Department of Physiology, University of Tennessee Health Science Center Memphis, Memphis, TN 38163, USA
    Mol Cell 39:421-32. 2010
    ..We conclude that CPA is a second messenger and a physiological inhibitor of PPARgamma, revealing that PPARgamma is regulated by endogenous agonists as well as by antagonists...
  43. ncbi request reprint QSAR studies of HIV-1 integrase inhibition
    Hongbin Yuan
    Department of Chemistry, University of Memphis, Memphis, TN 38152, USA
    Bioorg Med Chem 10:4169-83. 2002
    ..Thus we expect that these two QSAR models can be used in the search for novel HIV-1 integrase inhibitors as well as to provide insight into the binding modes of such diverse chemical compounds...
  44. ncbi request reprint S1P1-selective in vivo-active agonists from high-throughput screening: off-the-shelf chemical probes of receptor interactions, signaling, and fate
    Euijung Jo
    Department of Immunology, The Scripps Research Institute, 10550 North Torrey Pines Road, ICND 118, La Jolla, CA 92037, USA
    Chem Biol 12:703-15. 2005
    ....
  45. pmc Sphingosine 1-phosphate analogue recognition and selectivity at S1P4 within the endothelial differentiation gene family of receptors
    Yuichi Inagaki
    Department of Biomembrane and Biofunctional Chemistry, Graduate School of Pharmaceutical Sciences, Hokkaido University, Sapporo 060 0812, Japan
    Biochem J 389:187-95. 2005
    ..In contrast, the binding pocket of hS1P1 (human S1P4) places the ammonium recognition site 2 A (1 A=0.1 nm) closer to the end of the non-polar tail than the phosphate recognition site...
  46. pmc Three-dimensional quantitative structure-activity relationship and comparative molecular field analysis of dipeptide hydroxamic acid Helicobacter pylori urease inhibitors
    Hetal Mishra
    Department of Medicinal Chemistry, University of Mississippi, University, MS 38677
    Antimicrob Agents Chemother 46:2613-8. 2002
    ..This correlation, accompanied by the validation supplied by use of the CoMFA data, illustrates that the model can aid in the prediction and design of novel H. pylori urease inhibitors...
  47. ncbi request reprint Fatty alcohol phosphates are subtype-selective agonists and antagonists of lysophosphatidic acid receptors
    Tamas Virag
    Department of Physiology, University of Tennessee Health Science Center, Memphis 38163, USA
    Mol Pharmacol 63:1032-42. 2003
    ..These data suggest that FAPs are ligands of LPA receptors and that FAP-10 and FAP-12 are the first receptor subtype-specific agonists for LPA(2)...

Research Grants9

  1. Computational Approach to Ligand Discovery for LPA GPCR and PPAR
    Abby L Parrill; Fiscal Year: 2010
    ..This research can therefore lead to new treatments for cardiovascular disease and cancer. ..
  2. Computational Approach to Ligand Discovery for LPA GPCR and PPAR
    Abby Parrill; Fiscal Year: 2007
    ..This research can therefore lead to new treatments for cardiovascular disease and cancer. ..
  3. Computational Approach to Ligand Discovery for LPA GPCR and PPAR
    Abby Parrill; Fiscal Year: 2009
    ..This research can therefore lead to new treatments for cardiovascular disease and cancer. ..