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URMC / Virtual Drug Discovery / Publications

 

Publications

This is a list of publications that are related to drug discovery research done at the University of Rochester.

DiDone L, Scrimale T, Baxter BK, Krysan DJ A high-throughput assay of yeast cell lysis for drug discovery and genetic analysis. Nat Protoc. 2010;5(6):1107-14. Epub 2010 May 27. PMID: 20539286

Gao C, Park MS, Stern HA. Accounting for ligand conformational restriction in calculations of protein-ligand binding affinities. Biophys J. 2010 Mar 3;98(5):901-10.PMID: 20197044

Jordan CT Targeting myeloid leukemia stem cells. Sci Transl Med. 2010 May 12;2(31):31ps21. Review.PMID: 20463365

Mendler JH, Kelly J, Voci S, Marquis D, Rich L, Rossi RM, Bernstein SH, Jordan CT, Liesveld J, Fisher RI, Friedberg JW Bortezomib and gemcitabine in relapsed or refractory Hodgkin's lymphoma. Ann Oncol. 2008 Oct;19(10):1759-64. Epub 2008 May 25.PMID: 18504251

Hassane DC, Guzman ML, Corbett C, Li X, Abboud R, Young F, Liesveld JL, Carroll M, Jordan CT Discovery of agents that eradicate leukemia stem cells using an in silico screen of public gene expression data. Blood. 2008 Jun 15;111(12):5654-62. Epub 2008 Feb 27.PMID: 18305216

Guzman ML, Rossi RM, Neelakantan S, Li X, Corbett CA, Hassane DC, Becker MW, Bennett JM, Sullivan E, Lachowicz JL, Vaughan A, Sweeney CJ, Matthews W, Carroll M, Liesveld JL, Crooks PA, Jordan CT. An orally bioavailable parthenolide analog selectively eradicates acute myelogenous leukemia stem and progenitor cells. Blood. 2007 Dec 15;110(13):4427-35. Epub 2007 Sep 5.PMID: 17804695

Guzman ML, Li X, Corbett CA, Rossi RM, Bushnell T, Liesveld JL, Hébert J, Young F, Jordan CT Rapid and selective death of leukemia stem and progenitor cells induced by the compound 4-benzyl, 2-methyl, 1,2,4-thiadiazolidine, 3,5 dione (TDZD-8). Blood. 2007 Dec 15;110(13):4436-44. Epub 2007 Sep 4.PMID: 17785584

Friedberg JW, Sharman J, Sweetenham J, Johnston PB, Vose JM, Lacasce A, Schaefer-Cutillo J, De Vos S, Sinha R, Leonard JP, Cripe LD, Gregory SA, Sterba MP, Lowe AM, Levy R, Shipp MA. Inhibition of Syk with fostamatinib disodium has significant clinical activity in non-Hodgkin lymphoma and chronic lymphocytic leukemia. Blood. 2010 Apr 1;115(13):2578-85. Epub 2009 Nov 17.PMID: 19965662

Friedberg JW, Kelly JL, Neuberg D, Peterson DR, Kutok JL, Salloum R, Brenn T, Fisher DC, Ronan E, Dalton V, Rich L, Marquis D, Sims P, Rothberg PG, Liesveld J, Fisher RI, Coffman R, Mosmann T, Freedman AS. Phase II study of a TLR-9 agonist (1018 ISS) with rituximab in patients with relapsed or refractory follicular lymphoma. Br J Haematol. 2009 Aug;146(3):282-91. Epub 2009 Jun 10.PMID: 19519691

Friedberg JW Bendamustine in chronic lymphocytic leukemia: the future is combination therapy. Leuk Lymphoma. 2009 Sep;50(9):1399-400. No abstract available. PMID: 19811324

Rentmeister A, Arnold FH, Fasan R. Chemo-enzymatic fluorination of unactivated organic compounds. Nat Chem Biol. 2009 Jan;5(1):26-8. Epub 2008 Nov 16.PMID: 19011638

Fasan R, Chen MM, Crook NC, Arnold FH. Engineered alkane-hydroxylating cytochrome P450(BM3) exhibiting nativelike catalytic properties. Angew Chem Int Ed Engl. 2007;46(44):8414-8. No abstract available. PMID: 17886313

Casey LM, Pistner AR, Belmonte SL, Migdalovich D, Stolpnik O, Nwakanma FE, Vorobiof G, Dunaevsky O, Matavel A, Lopes CM, Smrcka AV, Blaxall BC. Small molecule disruption of Gbetagamma signaling inhibits the progression of heart failure. Circ Res. 2010 Aug 20;107(4):532-9. Epub 2010 Jun 24.PMID: 20576935

Smrcka AV, Kichik N, Tarragó T, Burroughs M, Park MS, Itoga NK, Stern HA, Willardson BM, Giralt E. NMR analysis of G-protein betagamma subunit complexes reveals a dynamic G(alpha)-Gbetagamma subunit interface and multiple protein recognition modes. Proc Natl Acad Sci U S A. 2010 Jan 12;107(2):639-44. Epub 2009 Dec 16.PMID: 20018744

Park MS, Dessal AL, Smrcka AV, Stern HA. Evaluating docking methods for prediction of binding affinities of small molecules to the G protein betagamma subunits. J Chem Inf Model. 2009 Feb;49(2):437-43.PMID: 19434844

Mathews JL, Smrcka AV, Bidlack JM A novel Gbetagamma-subunit inhibitor selectively modulates mu-opioid-dependent antinociception and attenuates acute morphine-induced antinociceptive tolerance and dependence. J Neurosci. 2008 Nov 19;28(47):12183-9.PMID: 19020012

Smrcka AV, Lehmann DM, Dessal AL. G protein betagamma subunits as targets for small molecule therapeutic development. Comb Chem High Throughput Screen. 2008 Jun;11(5):382-95. Review.PMID: 18537559

Lehmann DM, Seneviratne AM, Smrcka AV Small molecule disruption of G protein beta gamma subunit signaling inhibits neutrophil chemotaxis and inflammation. Mol Pharmacol. 2008 Feb;73(2):410-8. Epub 2007 Nov 15.PMID: 18006643

Bonacci TM, Mathews JL, Yuan C, Lehmann DM, Malik S, Wu D, Font JL, Bidlack JM, Smrcka AV. Differential targeting of Gbetagamma-subunit signaling with small molecules. Science. 2006 Apr 21;312(5772):443-6.PMID: 16627746

Eggert D, Dash PK, Gorantla S, Dou H, Schifitto G, Maggirwar SB, Dewhurst S, Poluektova L, Gelbard HA, Gendelman HE Neuroprotective activities of CEP-1347 in models of neuroAIDS. J Immunol. 2010 Jan 15;184(2):746-56. Epub 2009 Dec 4.PMID: 19966207

Dewhurst S, Maggirwar SB, Schifitto G, Gendelman HE, Gelbard HA. Glycogen synthase kinase 3 beta (GSK-3 beta) as a therapeutic target in neuroAIDS. J Neuroimmune Pharmacol. 2007 Mar;2(1):93-6. Epub 2006 Dec 16. Review.PMID: 18040831

Sui Z, Fan S, Sniderhan L, Reisinger E, Litzburg A, Schifitto G, Gelbard HA, Dewhurst S, Maggirwar SB. Inhibition of mixed lineage kinase 3 prevents HIV-1 Tat-mediated neurotoxicity and monocyte activation. J Immunol. 2006 Jul 1;177(1):702-11.PMID: 16785569

Kieburtz K, McDermott MP, Voss TS, Corey-Bloom J, Deuel LM, Dorsey ER, Factor S, Geschwind MD, Hodgeman K, Kayson E, Noonberg S, Pourfar M, Rabinowitz K, Ravina B, Sanchez-Ramos J, Seely L, Walker F, Feigin A; Huntington Disease Study Group DIMOND Investigators. A randomized, placebo-controlled trial of latrepirdine in Huntington disease. Arch Neurol. 2010 Feb;67(2):154-60. Erratum in: Arch Neurol. 2010 Apr;67(4):492. Dimebon in Subjects With Huntington Disease (DIMOND)Investigators of the Huntington Study Group [corrected to Huntington Disease Study Group DIMOND Investigators]. PMID: 20142523

Marras C, Lang AE, Eberly SW, Oakes D, Fahn S, Schwid SR, Hyson C, Shoulson I; Parkinson Study Group DATATOP and PRECEPT investigators. A comparison of treatment thresholds in two large Parkinson's disease clinical trial cohorts. Mov Disord. 2009 Dec 15;24(16):2370-8.PMID: 19908310

Mitsumoto J, Dorsey ER, Beck CA, Kieburtz K, Griggs RC. Pivotal studies of orphan drugs approved for neurological diseases. Ann Neurol. 2009 Aug;66(2):184-90.PMID: 19743448

Kupersmith MJ, Miller N, Balcer L, Gordon L, Wall M, Keltner J, Friedman D, Feldon S, McDermott M, Kieburtz K. The Neuro-Ophthalmology Research Disease Investigator Consortium (NORDIC). J Neuroophthalmol. 2009 Sep;29(3):259-61. No abstract available. PMID: 19726952

Ravina B, Tanner C, Dieuliis D, Eberly S, Flagg E, Galpern WR, Fahn S, Goetz CG, Grate S, Kurlan R, Lang AE, Marek K, Kieburtz K, Oakes D, Elliott R, Shoulson I; Parkinson Study Group LABS-PD Investigators. A longitudinal program for biomarker development in Parkinson's disease: a feasibility study. Mov Disord. 2009 Oct 30;24(14):2081-90.PMID: 19691116

Guttuso T Jr, McDermott MP, Ng P, Kieburtz K. Effect of L-methionine on hot flashes in postmenopausal women: a randomized controlled trial. Menopause. 2009 Sep-Oct;16(5):1004-8.PMID: 19407666

Logigian EL, Martens WB, Moxley RT 4th, McDermott MP, Dilek N, Wiegner AW, Pearson AT, Barbieri CA, Annis CL, Thornton CA, Moxley RT 3rd. Mexiletine is an effective antimyotonia treatment in myotonic dystrophy type 1. Neurology. 2010 May 4;74(18):1441-8.PMID: 20439846

Wheeler TM, Sobczak K, Lueck JD, Osborne RJ, Lin X, Dirksen RT, Thornton CA. Reversal of RNA dominance by displacement of protein sequestered on triplet repeat RNA. Science. 2009 Jul 17;325(5938):336-9.PMID: 19608921

Gareiss PC, Sobczak K, McNaughton BR, Palde PB, Thornton CA, Miller BL. Dynamic combinatorial selection of molecules capable of inhibiting the (CUG) repeat RNA-MBNL1 interaction in vitro: discovery of lead compounds targeting myotonic dystrophy (DM1). J Am Chem Soc. 2008 Dec 3;130(48):16254-61.PMID: 18998634

Palde PB, Ofori LO, Gareiss PC, Lerea J, Miller BL. Strategies for recognition of stem-loop RNA structures by synthetic ligands: application to the HIV-1 frameshift stimulatory sequence. J Med Chem. 2010 Aug 26;53(16):6018-27.PMID: 20672840

Miller BL. Dynamic covalent chemistry: Catalysing dynamic libraries. Nat Chem. 2010 Jun;2(6):433-4. Epub 2010 May 16. No abstract available. PMID: 20489706

McNaughton BR, Gareiss PC, Jacobs SE, Fricke AF, Scott GA, Miller BL A potent activator of melanogenesis identified from small-molecule screening. ChemMedChem. 2009 Oct;4(10):1583-9. No abstract available. PMID: 19670207

Gareiss PC, Miller BL. Ribosomal frameshifting: an emerging drug target for HIV. Curr Opin Investig Drugs. 2009 Feb;10(2):121-8. Review.PMID: 19197789

McNaughton BR, Gareiss PC, Miller BL. Identification of a selective small-molecule ligand for HIV-1 frameshift-inducing stem-loop RNA from an 11,325 member resin bound dynamic combinatorial library. J Am Chem Soc. 2007 Sep 19;129(37):11306-7. Epub 2007 Aug 28. No abstract available. PMID: 17722919

Wyatt MA, Wang W, Roux CM, Beasley FC, Heinrichs DE, Dunman PM, Magarvey NA Staphylococcus aureus nonribosomal peptide secondary metabolites regulate virulence. Science. 2010 Jul 16;329(5989):294-6. Epub 2010 Jun 3.PMID: 20522739

Jacobs AC, Hood I, Boyd KL, Olson PD, Morrison JM, Carson S, Sayood K, Iwen PC, Skaar EP, Dunman PM Inactivation of phospholipase D diminishes Acinetobacter baumannii pathogenesis. Infect Immun. 2010 May;78(5):1952-62. Epub 2010 Mar 1.PMID: 20194595

Alksne LE, Dunman PM Target-based antimicrobial drug discovery. Methods Mol Biol. 2008;431:271-83.PMID: 18287763

DiDone L, Scrimale T, Baxter BK, Krysan DJ A high-throughput assay of yeast cell lysis for drug discovery and genetic analysis. Nat Protoc. Nat Protoc. 2010;5(6):1107-14. Epub 2010 May 27.PMID: 20539286

Dolan K, Montgomery S, Buchheit B, Didone L, Wellington M, Krysan DJ Antifungal activity of tamoxifen: in vitro and in vivo activities and mechanistic characterization. Antimicrob Agents Chemother. 2009 Aug;53(8):3337-46. Epub 2009 Jun 1.PMID: 19487443

Krysan DJ, Didone L A high-throughput screening assay for small molecules that disrupt yeast cell integrity. J Biomol Screen. 2008 Aug;13(7):657-64. Epub 2008 Jul 14.PMID: 18626115

Jarolim S, Millen J, Heeren G, Laun P, Goldfarb DS, Breitenbach M. A novel assay for replicative lifespan in Saccharomyces cerevisiae. FEMS Yeast Res. 2004 Nov;5(2):169-77.PMID: 15489200

Bell RD, Deane R, Chow N, Long X, Sagare A, Singh I, Streb JW, Guo H, Rubio A, Van Nostrand W, Miano JM, Zlokovic BV. SRF and myocardin regulate LRP-mediated amyloid-beta clearance in brain vascular cells. Nat Cell Biol. 2009 Feb;11(2):143-53. Epub 2008 Dec 21.PMID: 19098903

Chow N, Bell RD, Deane R, Streb JW, Chen J, Brooks A, Van Nostrand W, Miano JM, Zlokovic BV. Serum response factor and myocardin mediate arterial hypercontractility and cerebral blood flow dysregulation in Alzheimer's phenotype. Proc Natl Acad Sci U S A. 2007 Jan 16;104(3):823-8. Epub 2007 Jan 10.PMID: 17215356

Salter JD, Krucinska J, Raina J, Smith HC, Wedekind JE. A hydrodynamic analysis of APOBEC3G reveals a monomer-dimer-tetramer self-association that has implications for anti-HIV function. Biochemistry. 2009 Nov 17;48(45):10685-7.PMID: 19839647

Bennett RP, Salter JD, Liu X, Wedekind JE, Smith HC. APOBEC3G subunits self-associate via the C-terminal deaminase domain. J Biol Chem. 2008 Nov 28;283(48):33329-36. Epub 2008 Oct 8.PMID: 18842592

Miller JH, Presnyak V, Smith HC. The dimerization domain of HIV-1 viral infectivity factor Vif is required to block virion incorporation of APOBEC3G. Retrovirology. 2007 Nov 24;4:81.PMID: 18036235

Wedekind JE, Gillilan R, Janda A, Krucinska J, Salter JD, Bennett RP, Raina J, Smith HC. Nanostructures of APOBEC3G support a hierarchical assembly model of high molecular mass ribonucleoprotein particles from dimeric subunits. J Biol Chem. 2006 Dec 15;281(50):38122-6. Epub 2006 Oct 31.PMID: 17079235