PubMed

Relative solvation free energies calculated using an ab initio QM/MM-based free energy perturbation method: dependence of results on simulation length.

Reddy MR, Erion MD.

J Comput Aided Mol Des. 2009 Sep 17. [Epub ahead of print]PMID: 19760106 [PubMed - as supplied by publisher]Related articles

Fructose-1,6-bisphosphatase inhibitors. 1. Purine phosphonic acids as novel AMP mimics.

Dang Q, Brown BS, Liu Y, Rydzewski RM, Robinson ED, van Poelje PD, Reddy MR, Erion MD.

J Med Chem. 2009 May 14;52(9):2880-98.PMID: 19348494 [PubMed - indexed for MEDLINE]Related articles

Delivery of high levels of anti-proliferative nucleoside triphosphates to CYP3A-expressing cells as a potential treatment for hepatocellular carcinoma.

MacKenna DA, Montag A, Boyer SH, Linemeyer DL, Erion MD.

Cancer Chemother Pharmacol. 2009 Oct;64(5):981-91. Epub 2009 Mar 13.PMID: 19283354 [PubMed - indexed for MEDLINE]Related articles

Thyroid hormone beta receptor activation has additive cholesterol lowering activity in combination with atorvastatin in rabbits, dogs and monkeys.

Ito BR, Zhang BH, Cable EE, Song X, Fujitaki JM, MacKenna DA, Wilker CE, Chi B, van Poelje PD, Linemeyer DL, Erion MD.

Br J Pharmacol. 2009 Feb;156(3):454-65. Epub 2009 Jan 22.PMID: 19183199 [PubMed - indexed for MEDLINE]Related articles

Reduction of hepatic steatosis in rats and mice after treatment with a liver-targeted thyroid hormone receptor agonist.

Cable EE, Finn PD, Stebbins JW, Hou J, Ito BR, van Poelje PD, Linemeyer DL, Erion MD.

Hepatology. 2009 Feb;49(2):407-17.PMID: 19072834 [PubMed - indexed for MEDLINE]Related articles

Synthesis and biological evaluation of a series of liver-selective phosphonic acid thyroid hormone receptor agonists and their prodrugs.

Boyer SH, Jiang H, Jacintho JD, Reddy MV, Li H, Li W, Godwin JL, Schulz WG, Cable EE, Hou J, Wu R, Fujitaki JM, Hecker SJ, Erion MD.

J Med Chem. 2008 Nov 27;51(22):7075-93.PMID: 18975928 [PubMed - indexed for MEDLINE]Related articles

Preclinical pharmacokinetics of a HepDirect prodrug of a novel phosphonate-containing thyroid hormone receptor agonist.

Fujitaki JM, Cable EE, Ito BR, Zhang BH, Hou J, Yang C, Bullough DA, Ferrero JL, van Poelje PD, Linemeyer DL, Erion MD.

Drug Metab Dispos. 2008 Nov;36(11):2393-403. Epub 2008 Aug 14.PMID: 18703645 [PubMed - indexed for MEDLINE]Related articlesFree article

Discovery of phosphonic diamide prodrugs and their use for the oral delivery of a series of fructose 1,6-bisphosphatase inhibitors.

Dang Q, Kasibhatla SR, Jiang T, Fan K, Liu Y, Taplin F, Schulz W, Cashion DK, Reddy KR, van Poelje PD, Fujitaki JM, Potter SC, Erion MD.

J Med Chem. 2008 Jul 24;51(14):4331-9. Epub 2008 Jun 21.PMID: 18570362 [PubMed - indexed for MEDLINE]Related articles

Prodrugs of phosphates and phosphonates.

Hecker SJ, Erion MD.

J Med Chem. 2008 Apr 24;51(8):2328-45. Epub 2008 Feb 1. No abstract available. PMID: 18237108 [PubMed - indexed for MEDLINE]Related articles

Pradefovir: a prodrug that targets adefovir to the liver for the treatment of hepatitis B.

Reddy KR, Matelich MC, Ugarkar BG, Gómez-Galeno JE, DaRe J, Ollis K, Sun Z, Craigo W, Colby TJ, Fujitaki JM, Boyer SH, van Poelje PD, Erion MD.

J Med Chem. 2008 Feb 14;51(3):666-76. Epub 2008 Jan 4.PMID: 18173234 [PubMed - indexed for MEDLINE]Related articles

Discovery of potent and specific fructose-1,6-bisphosphatase inhibitors and a series of orally-bioavailable phosphoramidase-sensitive prodrugs for the treatment of type 2 diabetes.

Dang Q, Kasibhatla SR, Reddy KR, Jiang T, Reddy MR, Potter SC, Fujitaki JM, van Poelje PD, Huang J, Lipscomb WN, Erion MD.

J Am Chem Soc. 2007 Dec 19;129(50):15491-502. Epub 2007 Nov 28.PMID: 18041834 [PubMed - indexed for MEDLINE]Related articles

Structure-guided design of AMP mimics that inhibit fructose-1,6-bisphosphatase with high affinity and specificity.

Erion MD, Dang Q, Reddy MR, Kasibhatla SR, Huang J, Lipscomb WN, van Poelje PD.

J Am Chem Soc. 2007 Dec 19;129(50):15480-90. Epub 2007 Nov 28.PMID: 18041833 [PubMed - indexed for MEDLINE]Related articles

Targeting thyroid hormone receptor-beta agonists to the liver reduces cholesterol and triglycerides and improves the therapeutic index.

Erion MD, Cable EE, Ito BR, Jiang H, Fujitaki JM, Finn PD, Zhang BH, Hou J, Boyer SH, van Poelje PD, Linemeyer DL.

Proc Natl Acad Sci U S A. 2007 Sep 25;104(39):15490-5. Epub 2007 Sep 18.PMID: 17878314 [PubMed - indexed for MEDLINE]Related articlesFree article

Discovery of fructose-1,6-bisphosphatase inhibitors for the treatment of type 2 diabetes.

van Poelje PD, Dang Q, Erion MD.

Curr Opin Drug Discov Devel. 2007 Jul;10(4):430-7. Review.PMID: 17659484 [PubMed - indexed for MEDLINE]Related articles

Liver-targeted prodrugs of 2'-C-methyladenosine for therapy of hepatitis C virus infection.

Hecker SJ, Reddy KR, van Poelje PD, Sun Z, Huang W, Varkhedkar V, Reddy MV, Fujitaki JM, Olsen DB, Koeplinger KA, Boyer SH, Linemeyer DL, MacCoss M, Erion MD.

J Med Chem. 2007 Aug 9;50(16):3891-6. Epub 2007 Jul 18.PMID: 17636948 [PubMed - indexed for MEDLINE]Related articles

Relative binding affinities of fructose-1,6-bisphosphatase inhibitors calculated using a quantum mechanics-based free energy perturbation method.

Reddy MR, Erion MD.

J Am Chem Soc. 2007 Aug 1;129(30):9296-7. Epub 2007 Jul 7. No abstract available. PMID: 17616196 [PubMed - indexed for MEDLINE]Related articles

Bis[(para-methoxy)benzyl] phosphonate prodrugs with improved stability and enhanced cell penetration.

Dang Q, Liu Y, Rydzewski RM, Brown BS, Robinson E, van Poelje PD, Colby TJ, Erion MD.

Bioorg Med Chem Lett. 2007 Jun 15;17(12):3412-6. Epub 2007 Apr 2.PMID: 17459701 [PubMed - indexed for MEDLINE]Related articles

Ab initio quantum mechanics-based free energy perturbation method for calculating relative solvation free energies.

Reddy MR, Singh UC, Erion MD.

J Comput Chem. 2007 Jan 30;28(2):491-4.PMID: 17186484 [PubMed - indexed for MEDLINE]Related articles

Synthesis and characterization of a novel liver-targeted prodrug of cytosine-1-beta-D-arabinofuranoside monophosphate for the treatment of hepatocellular carcinoma.

Boyer SH, Sun Z, Jiang H, Esterbrook J, Gómez-Galeno JE, Craigo W, Reddy KR, Ugarkar BG, MacKenna DA, Erion MD.

J Med Chem. 2006 Dec 28;49(26):7711-20.PMID: 17181153 [PubMed - indexed for MEDLINE]Related articles

Inhibition of fructose 1,6-bisphosphatase reduces excessive endogenous glucose production and attenuates hyperglycemia in Zucker diabetic fatty rats.

van Poelje PD, Potter SC, Chandramouli VC, Landau BR, Dang Q, Erion MD.

Diabetes. 2006 Jun;55(6):1747-54.PMID: 16731838 [PubMed - indexed for MEDLINE]Related articlesFree article

HepDirect prodrugs for targeting nucleotide-based antiviral drugs to the liver.

Erion MD, Bullough DA, Lin CC, Hong Z.

Curr Opin Investig Drugs. 2006 Feb;7(2):109-17. Review.PMID: 16499280 [PubMed - indexed for MEDLINE]Related articles

Adenosine kinase inhibitors. 6. Synthesis, water solubility, and antinociceptive activity of 5-phenyl-7-(5-deoxy-beta-D-ribofuranosyl)pyrrolo[2,3-d]pyrimidines substituted at C4 with glycinamides and related compounds.

Bookser BC, Ugarkar BG, Matelich MC, Lemus RH, Allan M, Tsuchiya M, Nakane M, Nagahisa A, Wiesner JB, Erion MD.

J Med Chem. 2005 Dec 1;48(24):7808-20.PMID: 16302820 [PubMed - indexed for MEDLINE]Related articles

Liver targeting of hepatitis-B antiviral lamivudine using the HepDirect prodrug technology.

Reddy KR, Colby TJ, Fujitaki JM, van Poelje PD, Erion MD.

Nucleosides Nucleotides Nucleic Acids. 2005;24(5-7):375-81.PMID: 16247954 [PubMed - indexed for MEDLINE]Related articles

Adenosine kinase inhibitors. 5. Synthesis, enzyme inhibition, and analgesic activity of diaryl-erythro-furanosyltubercidin analogues.

Boyer SH, Ugarkar BG, Solbach J, Kopcho J, Matelich MC, Ollis K, Gomez-Galeno JE, Mendonca R, Tsuchiya M, Nagahisa A, Nakane M, Wiesner JB, Erion MD.

J Med Chem. 2005 Oct 6;48(20):6430-41.PMID: 16190769 [PubMed - indexed for MEDLINE]Related articles

The therapeutic potential of agents acting via purine receptors.

Appleman JR, Erion MD.

Expert Opin Investig Drugs. 1998 Feb;7(2):225-43.PMID: 15991954 [PubMed]Related articles

MB06322 (CS-917): A potent and selective inhibitor of fructose 1,6-bisphosphatase for controlling gluconeogenesis in type 2 diabetes.

Erion MD, van Poelje PD, Dang Q, Kasibhatla SR, Potter SC, Reddy MR, Reddy KR, Jiang T, Lipscomb WN.

Proc Natl Acad Sci U S A. 2005 May 31;102(22):7970-5. Epub 2005 May 23.PMID: 15911772 [PubMed - indexed for MEDLINE]Related articlesFree article

Computer-aided drug design strategies used in the discovery of fructose 1, 6-bisphosphatase inhibitors.

Reddy MR, Erion MD.

Curr Pharm Des. 2005;11(3):283-94. Review.PMID: 15723626 [PubMed - indexed for MEDLINE]Related articles

Remofovir mesylate: a prodrug of PMEA with improved liver-targeting and safety in rats and monkeys.

Lin CC, Yeh LT, Vitarella D, Hong Z, Erion MD.

Antivir Chem Chemother. 2004 Nov;15(6):307-17.PMID: 15646644 [PubMed - indexed for MEDLINE]Related articles

Liver-targeted drug delivery using HepDirect prodrugs.

Erion MD, van Poelje PD, Mackenna DA, Colby TJ, Montag AC, Fujitaki JM, Linemeyer DL, Bullough DA.

J Pharmacol Exp Ther. 2005 Feb;312(2):554-60. Epub 2004 Aug 31.PMID: 15340017 [PubMed - indexed for MEDLINE]Related articlesFree article

Development of a quantum mechanics-based free-energy perturbation method: use in the calculation of relative solvation free energies.

Reddy MR, Singh UC, Erion MD.

J Am Chem Soc. 2004 May 26;126(20):6224-5.PMID: 15149207 [PubMed]Related articles

Design, synthesis, and characterization of a series of cytochrome P(450) 3A-activated prodrugs (HepDirect prodrugs) useful for targeting phosph(on)ate-based drugs to the liver.

Erion MD, Reddy KR, Boyer SH, Matelich MC, Gomez-Galeno J, Lemus RH, Ugarkar BG, Colby TJ, Schanzer J, Van Poelje PD.

J Am Chem Soc. 2004 Apr 28;126(16):5154-63.PMID: 15099098 [PubMed - indexed for MEDLINE]Related articles

Modulation of cardiac remodeling by adenosine: in vitro and in vivo effects.

Villarreal F, Zimmermann S, Makhsudova L, Montag AC, Erion MD, Bullough DA, Ito BR.

Mol Cell Biochem. 2003 Sep;251(1-2):17-26. Review.PMID: 14575299 [PubMed - indexed for MEDLINE]Related articles

Adenosine kinase inhibitors. 3. Synthesis, SAR, and antiinflammatory activity of a series of l-lyxofuranosyl nucleosides.

Ugarkar BG, Castellino AJ, DaRe JS, Ramirez-Weinhouse M, Kopcho JJ, Rosengren S, Erion MD.

J Med Chem. 2003 Oct 23;46(22):4750-60.PMID: 14561094 [PubMed - indexed for MEDLINE]Related articles

Calculation of relative binding free energy differences for fructose 1,6-bisphosphatase inhibitors using the thermodynamic cycle perturbation approach.

Reddy MR, Erion MD.

J Am Chem Soc. 2001 Jul 4;123(26):6246-52.PMID: 11427047 [PubMed - indexed for MEDLINE]Related articles

Isolation of a family of organic anion transporters from human liver and kidney.

Sun W, Wu RR, van Poelje PD, Erion MD.

Biochem Biophys Res Commun. 2001 May 4;283(2):417-22.PMID: 11327718 [PubMed - indexed for MEDLINE]Related articles

AMP deaminase inhibitors. 5. Design, synthesis, and SAR of a highly potent inhibitor series.

Kasibhatla SR, Bookser BC, Xiao W, Erion MD.

J Med Chem. 2001 Feb 15;44(4):613-8.PMID: 11170651 [PubMed - indexed for MEDLINE]Related articles

Adenosine kinase inhibitors. 2. Synthesis, enzyme inhibition, and antiseizure activity of diaryltubercidin analogues.

Ugarkar BG, Castellino AJ, DaRe JM, Kopcho JJ, Wiesner JB, Schanzer JM, Erion MD.

J Med Chem. 2000 Jul 27;43(15):2894-905.PMID: 10956197 [PubMed - indexed for MEDLINE]Related articles

Adenosine kinase inhibitors. 1. Synthesis, enzyme inhibition, and antiseizure activity of 5-iodotubercidin analogues.

Ugarkar BG, DaRe JM, Kopcho JJ, Browne CE 3rd, Schanzer JM, Wiesner JB, Erion MD.

J Med Chem. 2000 Jul 27;43(15):2883-93.PMID: 10956196 [PubMed - indexed for MEDLINE]Related articles

AMP deaminase inhibitors. 4. Further N3-substituted coformycin aglycon analogues: N3-alkylmalonates as ribose 5'-monophosphate mimetics.

Bookser BC, Kasibhatla SR, Erion MD.

J Med Chem. 2000 Apr 20;43(8):1519-24.PMID: 10780908 [PubMed - indexed for MEDLINE]Related articles

AMP deaminase inhibitors. 3. SAR of 3-(carboxyarylalkyl)coformycin aglycon analogues.

Kasibhatla SR, Bookser BC, Probst G, Appleman JR, Erion MD.

J Med Chem. 2000 Apr 20;43(8):1508-18.PMID: 10780907 [PubMed - indexed for MEDLINE]Related articles

AMP deaminase inhibitors. 2. Initial discovery of a non-nucleotide transition-state inhibitor series.

Bookser BC, Kasibhatla SR, Appleman JR, Erion MD.

J Med Chem. 2000 Apr 20;43(8):1495-507.PMID: 10780906 [PubMed - indexed for MEDLINE]Related articles

Structure-based drug design approaches for predicting binding affinities of HIV1 protease inhibitors.

Reddy MR, Erion MD.

J Enzyme Inhib. 1998;14(1):1-14. Review.PMID: 10520756 [PubMed - indexed for MEDLINE]Related articles

The structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase at 1.7 A resolution provides insights into substrate binding and catalysis.

Appleby TC, Erion MD, Ealick SE.

Structure. 1999 Jun 15;7(6):629-41.PMID: 10404592 [PubMed - indexed for MEDLINE]Related articles

Synthesis of phosphonate 3-phthalidyl esters as prodrugs for potential intracellular delivery of phosphonates.

Dang Q, Brown BS, van Poelje PD, Colby TJ, Erion MD.

Bioorg Med Chem Lett. 1999 Jun 7;9(11):1505-10.PMID: 10386925 [PubMed - indexed for MEDLINE]Related articles

Adenosine kinase inhibitors as a novel approach to anticonvulsant therapy.

Wiesner JB, Ugarkar BG, Castellino AJ, Barankiewicz J, Dumas DP, Gruber HE, Foster AC, Erion MD.

J Pharmacol Exp Ther. 1999 Jun;289(3):1669-77.PMID: 10336567 [PubMed - indexed for MEDLINE]Related articlesFree article

Structure of human adenosine kinase at 1.5 A resolution.

Mathews II, Erion MD, Ealick SE.

Biochemistry. 1998 Nov 10;37(45):15607-20.PMID: 9843365 [PubMed - indexed for MEDLINE]Related articles

Design and synthesis of the first potent, selective, and cell penetrating adenosine 5'-monophosphate deaminase inhibitors.

Bookser BC, Kasibhatla SR, Appleman JR, Erion MD.

Adv Exp Med Biol. 1998;431:853-7.PMID: 9598184 [PubMed - indexed for MEDLINE]Related articles

Design, synthesis, and structure-activity relationships of the first highly potent, selective, and bioavailable adenosine 5'-monophosphate deaminase inhibitors.

Kasibhatla SR, Bookser BC, Appleman JR, Probst G, Xiao W, Fujitaki JM, Erion MD.

Adv Exp Med Biol. 1998;431:849-52.PMID: 9598183 [PubMed - indexed for MEDLINE]Related articles

Purine nucleoside phosphorylase. 3. Reversal of purine base specificity by site-directed mutagenesis.

Stoeckler JD, Poirot AF, Smith RM, Parks RE Jr, Ealick SE, Takabayashi K, Erion MD.

Biochemistry. 1997 Sep 30;36(39):11749-56.PMID: 9305964 [PubMed - indexed for MEDLINE]Related articles

Purine nucleoside phosphorylase. 2. Catalytic mechanism.

Erion MD, Stoeckler JD, Guida WC, Walter RL, Ealick SE.

Biochemistry. 1997 Sep 30;36(39):11735-48.PMID: 9305963 [PubMed - indexed for MEDLINE]Related articles