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A pre-catalytic non-covalent step governs DNA polymerase β fidelity.

Alnajjar KS, Krylov IS, Negahbani A, Haratipour P, Kashemirov BA, Huang J, Mahmoud M, McKenna CE, Goodman MF, Sweasy JB.

Nucleic Acids Res. 2019 Dec 16;47(22):11839-11849. doi: 10.1093/nar/gkz1076.


Synthesis of ortho-Formylphenylphosphonic Acids as Covalent Probes of Active Site Lysines.

Duro MVV, Alnajjar KS, Sweasy JB, Kashemirov BA, McKenna CE.

Phosphorus Sulfur Silicon Relat Elem. 2019;194(4-6):313-314. doi: 10.1080/10426507.2018.1539996. Epub 2019 Feb 13.


A Transition-State Perspective on Y-Family DNA Polymerase η Fidelity in Comparison with X-Family DNA Polymerases λ and β.

Oertell K, Florián J, Haratipour P, Crans DC, Kashemirov BA, Wilson SH, McKenna CE, Goodman MF.

Biochemistry. 2019 Apr 2;58(13):1764-1773. doi: 10.1021/acs.biochem.9b00087. Epub 2019 Mar 14.


Probing DNA Base-Dependent Leaving Group Kinetic Effects on the DNA Polymerase Transition State.

Oertell K, Kashemirov BA, Negahbani A, Minard C, Haratipour P, Alnajjar KS, Sweasy JB, Batra VK, Beard WA, Wilson SH, McKenna CE, Goodman MF.

Biochemistry. 2018 Jul 3;57(26):3925-3933. doi: 10.1021/acs.biochem.8b00417. Epub 2018 Jun 19.


Mapping Functional Substrate-Enzyme Interactions in the pol β Active Site through Chemical Biology: Structural Responses to Acidity Modification of Incoming dNTPs.

Batra VK, Oertell K, Beard WA, Kashemirov BA, McKenna CE, Goodman MF, Wilson SH.

Biochemistry. 2018 Jul 3;57(26):3934-3944. doi: 10.1021/acs.biochem.8b00418. Epub 2018 Jun 21.


USC-087 protects Syrian hamsters against lethal challenge with human species C adenoviruses.

Toth K, Spencer JF, Ying B, Tollefson AE, Hartline CB, Richard ET, Fan J, Lyu J, Kashemirov BA, Harteg C, Reyna D, Lipka E, Prichard MN, McKenna CE, Wold WSM.

Antiviral Res. 2018 May;153:1-9. doi: 10.1016/j.antiviral.2018.03.001. Epub 2018 Mar 3.


Bisphosphonate-Linked TrkB Agonist: Cochlea-Targeted Delivery of a Neurotrophic Agent as a Strategy for the Treatment of Hearing Loss.

Kempfle JS, Nguyen K, Hamadani C, Koen N, Edge AS, Kashemirov BA, Jung DH, McKenna CE.

Bioconjug Chem. 2018 Apr 18;29(4):1240-1250. doi: 10.1021/acs.bioconjchem.8b00022. Epub 2018 Feb 27.


DNA Polymerase β Cancer-Associated Variant I260M Exhibits Nonspecific Selectivity toward the β-γ Bridging Group of the Incoming dNTP.

Alnajjar KS, Negahbani A, Nakhjiri M, Krylov IS, Kashemirov BA, McKenna CE, Goodman MF, Sweasy JB.

Biochemistry. 2017 Oct 10;56(40):5449-5456. doi: 10.1021/acs.biochem.7b00713. Epub 2017 Sep 20.


Selective BET bromodomain inhibition as an antifungal therapeutic strategy.

Mietton F, Ferri E, Champleboux M, Zala N, Maubon D, Zhou Y, Harbut M, Spittler D, Garnaud C, Courçon M, Chauvel M, d'Enfert C, Kashemirov BA, Hull M, Cornet M, McKenna CE, Govin J, Petosa C.

Nat Commun. 2017 May 18;8:15482. doi: 10.1038/ncomms15482.


A Change in the Rate-Determining Step of Polymerization by the K289M DNA Polymerase β Cancer-Associated Variant.

Alnajjar KS, Garcia-Barboza B, Negahbani A, Nakhjiri M, Kashemirov B, McKenna C, Goodman MF, Sweasy JB.

Biochemistry. 2017 Apr 18;56(15):2096-2105. doi: 10.1021/acs.biochem.6b01230. Epub 2017 Apr 6.


Fluorescent Bisphosphonate and Carboxyphosphonate Probes: A Versatile Imaging Toolkit for Applications in Bone Biology and Biomedicine.

Sun S, Błażewska KM, Kadina AP, Kashemirov BA, Duan X, Triffitt JT, Dunford JE, Russell RG, Ebetino FH, Roelofs AJ, Coxon FP, Lundy MW, McKenna CE.

Bioconjug Chem. 2016 Feb 17;27(2):329-40. doi: 10.1021/acs.bioconjchem.5b00369. Epub 2015 Dec 8.


Non-Ototoxic Local Delivery of Bisphosphonate to the Mammalian Cochlea.

Kang WS, Sun S, Nguyen K, Kashemirov B, McKenna CE, Hacking SA, Quesnel AM, Sewell WF, McKenna MJ, Jung DH.

Otol Neurotol. 2015 Jul;36(6):953-60. doi: 10.1097/MAO.0000000000000786.


Two Scaffolds from Two Flips: (α,β)/(β,γ) CH2/NH "Met-Im" Analogues of dTTP.

Kadina AP, Kashemirov BA, Oertell K, Batra VK, Wilson SH, Goodman MF, McKenna CE.

Org Lett. 2015 Jun 5;17(11):2586-9. doi: 10.1021/acs.orglett.5b00799. Epub 2015 May 13.


5'-β,γ-CHF-ATP diastereomers: synthesis and fluorine-mediated selective binding by c-Src protein kinase.

Hwang CS, Kung A, Kashemirov BA, Zhang C, McKenna CE.

Org Lett. 2015 Apr 3;17(7):1624-7. doi: 10.1021/ol503765n. Epub 2015 Mar 17.


Real-time intravital imaging establishes tumor-associated macrophages as the extraskeletal target of bisphosphonate action in cancer.

Junankar S, Shay G, Jurczyluk J, Ali N, Down J, Pocock N, Parker A, Nguyen A, Sun S, Kashemirov B, McKenna CE, Croucher PI, Swarbrick A, Weilbaecher K, Phan TG, Rogers MJ.

Cancer Discov. 2015 Jan;5(1):35-42. doi: 10.1158/2159-8290.CD-14-0621. Epub 2014 Oct 13.


Small molecule inhibition of SAMHD1 dNTPase by tetramer destabilization.

Seamon KJ, Hansen EC, Kadina AP, Kashemirov BA, McKenna CE, Bumpus NN, Stivers JT.

J Am Chem Soc. 2014 Jul 16;136(28):9822-5. doi: 10.1021/ja5035717. Epub 2014 Jul 8.


On the observation of discrete fluorine NMR spectra for uridine 5'-β,γ-fluoromethylenetriphosphate diastereomers at basic pH.

Hwang CS, Kashemirov BA, McKenna CE.

J Org Chem. 2014 Jun 6;79(11):5315-9. doi: 10.1021/jo500452b. Epub 2014 May 12.


Transition state in DNA polymerase β catalysis: rate-limiting chemistry altered by base-pair configuration.

Oertell K, Chamberlain BT, Wu Y, Ferri E, Kashemirov BA, Beard WA, Wilson SH, McKenna CE, Goodman MF.

Biochemistry. 2014 Mar 25;53(11):1842-8. doi: 10.1021/bi500101z. Epub 2014 Mar 12.


Evolution of an amino acid based prodrug approach: stay tuned.

Krylov IS, Kashemirov BA, Hilfinger JM, McKenna CE.

Mol Pharm. 2013 Feb 4;10(2):445-58. doi: 10.1021/mp300663j. Epub 2013 Jan 22.


Effect of β,γ-CHF- and β,γ-CHCl-dGTP halogen atom stereochemistry on the transition state of DNA polymerase β.

Oertell K, Wu Y, Zakharova VM, Kashemirov BA, Shock DD, Beard WA, Wilson SH, McKenna CE, Goodman MF.

Biochemistry. 2012 Oct 30;51(43):8491-501. doi: 10.1021/bi3010335. Epub 2012 Oct 19.


β,γ-CHF- and β,γ-CHCl-dGTP diastereomers: synthesis, discrete 31P NMR signatures, and absolute configurations of new stereochemical probes for DNA polymerases.

Wu Y, Zakharova VM, Kashemirov BA, Goodman MF, Batra VK, Wilson SH, McKenna CE.

J Am Chem Soc. 2012 May 30;134(21):8734-7. doi: 10.1021/ja300218x. Epub 2012 May 18.


Stereospecific formation of a ternary complex of (S)-α,β-fluoromethylene-dATP with DNA pol β.

Chamberlain BT, Batra VK, Beard WA, Kadina AP, Shock DD, Kashemirov BA, McKenna CE, Goodman MF, Wilson SH.

Chembiochem. 2012 Mar 5;13(4):528-30. doi: 10.1002/cbic.201100738. Epub 2012 Feb 7.


Bisphosphonate binding affinity affects drug distribution in both intracortical and trabecular bone of rabbits.

Turek J, Ebetino FH, Lundy MW, Sun S, Kashemirov BA, McKenna CE, Gallant MA, Plotkin LI, Bellido T, Duan X, Triffitt JT, Russell RG, Burr DB, Allen MR.

Calcif Tissue Int. 2012 Mar;90(3):202-10. doi: 10.1007/s00223-012-9570-0. Epub 2012 Jan 17.


Influence of bone affinity on the skeletal distribution of fluorescently labeled bisphosphonates in vivo.

Roelofs AJ, Stewart CA, Sun S, Błażewska KM, Kashemirov BA, McKenna CE, Russell RG, Rogers MJ, Lundy MW, Ebetino FH, Coxon FP.

J Bone Miner Res. 2012 Apr;27(4):835-47. doi: 10.1002/jbmr.1543.


Structure of cyclic nucleoside phosphonate ester prodrugs: an inquiry.

Krylov IS, Zakharova VM, Serpi M, Haiges R, Kashemirov BA, McKenna CE.

J Org Chem. 2012 Jan 6;77(1):684-9. doi: 10.1021/jo201735f. Epub 2011 Nov 30.


Synthesis and characterization of novel fluorescent nitrogen-containing bisphosphonate imaging probes for bone active drugs.

Sun S, Błażewska KM, Kashemirov BA, Roelofs AJ, Coxon FP, Rogers MJ, Ebetino FH, McKenna MJ, McKenna CE.

Phosphorus Sulfur Silicon Relat Elem. 2011 Apr;186(4):970-971.


Synthesis, stereochemistry and SAR of a series of minodronate analogues as RGGT inhibitors.

Błażewska KM, Ni F, Haiges R, Kashemirov BA, Coxon FP, Stewart CA, Baron R, Rogers MJ, Seabra MC, Ebetino FH, McKenna CE.

Eur J Med Chem. 2011 Oct;46(10):4820-6. doi: 10.1016/j.ejmech.2011.04.063. Epub 2011 May 7.


Tyrosine-based 1-(S)-[3-hydroxy-2-(phosphonomethoxy)propyl]cytosine and -adenine ((S)-HPMPC and (S)-HPMPA) prodrugs: synthesis, stability, antiviral activity, and in vivo transport studies.

Zakharova VM, Serpi M, Krylov IS, Peterson LW, Breitenbach JM, Borysko KZ, Drach JC, Collins M, Hilfinger JM, Kashemirov BA, McKenna CE.

J Med Chem. 2011 Aug 25;54(16):5680-93. doi: 10.1021/jm2001426. Epub 2011 Aug 3.


Synthesis, transport and antiviral activity of Ala-Ser and Val-Ser prodrugs of cidofovir.

Peterson LW, Kim JS, Kijek P, Mitchell S, Hilfinger J, Breitenbach J, Borysko K, Drach JC, Kashemirov BA, McKenna CE.

Bioorg Med Chem Lett. 2011 Jul 1;21(13):4045-9. doi: 10.1016/j.bmcl.2011.04.126. Epub 2011 May 3.


Synthesis and sensing of bisphosphonophosphate alkyl monoesters: A novel class of compounds for the study of nucleoside 5'-triphosphate chemistry.

Chamberlain BT, Osuna J, Kashemirov BA, McKenna CE.

Phosphorus Sulfur Silicon Relat Elem. 2011 Apr 1;186(4):966-967.


Approaches to tyrosine-linked peptidomimetic prodrugs of (S)-HPMP-based acyclic nucleoside phosphonates.

Zakharova VM, Krylov IS, Serpi M, Kashemirov BA, McKenna CE.

Phosphorus Sulfur Silicon Relat Elem. 2011;186(4):968-969.


A serendipitous phosphonocarboxylate complex of boron: when vessel becomes reagent.

Błażewska KM, Haiges R, Kashemirov BA, Ebetino FH, McKenna CE.

Chem Commun (Camb). 2011 Jun 14;47(22):6395-7. doi: 10.1039/c1cc10876j. Epub 2011 May 9.


The relationship between the chemistry and biological activity of the bisphosphonates.

Ebetino FH, Hogan AM, Sun S, Tsoumpra MK, Duan X, Triffitt JT, Kwaasi AA, Dunford JE, Barnett BL, Oppermann U, Lundy MW, Boyde A, Kashemirov BA, McKenna CE, Russell RG.

Bone. 2011 Jul;49(1):20-33. doi: 10.1016/j.bone.2011.03.774. Epub 2011 Apr 9. Review.


α-Azido bisphosphonates: synthesis and nucleotide analogues.

Chamberlain BT, Upton TG, Kashemirov BA, McKenna CE.

J Org Chem. 2011 Jun 17;76(12):5132-6. doi: 10.1021/jo200045a. Epub 2011 May 25.


Serine side chain-linked peptidomimetic conjugates of cyclic HPMPC and HPMPA: synthesis and interaction with hPEPT1.

Peterson LW, Sala-Rabanal M, Krylov IS, Serpi M, Kashemirov BA, McKenna CE.

Mol Pharm. 2010 Dec 6;7(6):2349-61. doi: 10.1021/mp100186b. Epub 2010 Oct 7.


Synthesis and biological evaluation of fluorinated deoxynucleotide analogs based on bis-(difluoromethylene)triphosphoric acid.

Surya Prakash GK, Zibinsky M, Upton TG, Kashemirov BA, McKenna CE, Oertell K, Goodman MF, Batra VK, Pedersen LC, Beard WA, Shock DD, Wilson SH, Olah GA.

Proc Natl Acad Sci U S A. 2010 Sep 7;107(36):15693-8. doi: 10.1073/pnas.1007430107. Epub 2010 Aug 19.


Halogenated beta,gamma-methylene- and ethylidene-dGTP-DNA ternary complexes with DNA polymerase beta: structural evidence for stereospecific binding of the fluoromethylene analogues.

Batra VK, Pedersen LC, Beard WA, Wilson SH, Kashemirov BA, Upton TG, Goodman MF, McKenna CE.

J Am Chem Soc. 2010 Jun 9;132(22):7617-25. doi: 10.1021/ja909370k.


Fluorescent risedronate analogues reveal bisphosphonate uptake by bone marrow monocytes and localization around osteocytes in vivo.

Roelofs AJ, Coxon FP, Ebetino FH, Lundy MW, Henneman ZJ, Nancollas GH, Sun S, Blazewska KM, Bala JL, Kashemirov BA, Khalid AB, McKenna CE, Rogers MJ.

J Bone Miner Res. 2010 Mar;25(3):606-16. doi: 10.1359/jbmr.091009.


Synthesis, chiral high performance liquid chromatographic resolution and enantiospecific activity of a potent new geranylgeranyl transferase inhibitor, 2-hydroxy-3-imidazo[1,2-a]pyridin-3-yl-2-phosphonopropionic acid.

McKenna CE, Kashemirov BA, Błazewska KM, Mallard-Favier I, Stewart CA, Rojas J, Lundy MW, Ebetino FH, Baron RA, Dunford JE, Kirsten ML, Seabra MC, Bala JL, Marma MS, Rogers MJ, Coxon FP.

J Med Chem. 2010 May 13;53(9):3454-64. doi: 10.1021/jm900232u.


Modifications to the dNTP triphosphate moiety: from mechanistic probes for DNA polymerases to antiviral and anti-cancer drug design.

McKenna CE, Kashemirov BA, Peterson LW, Goodman MF.

Biochim Biophys Acta. 2010 May;1804(5):1223-30. doi: 10.1016/j.bbapap.2010.01.005. Epub 2010 Jan 14. Review.


Electronic circular dichroism of monomethyl [16O,17O,18O]-phosphate and [16O,17O,18O]-thiophosphate revisited.

Pan JJ, Kashemirov BA, Lee J, McKenna CE, Devlin FJ, Stephens PJ.

Bioorg Chem. 2010 Feb;38(1):7-16. doi: 10.1016/j.bioorg.2009.02.001. Epub 2009 Feb 25.


Complexation of bisphosphonates with ytterbium(III): application of phosphate and ATP detection assay based on Yb(3+)-pyrocatechol violet.

Gaidamauskas E, Parker H, Kashemirov BA, Holder AA, Saejueng K, McKenna CE, Crans DC.

J Inorg Biochem. 2009 Dec;103(12):1652-7. doi: 10.1016/j.jinorgbio.2009.09.006. Epub 2009 Sep 20.


1-(Alpha-aminobenzyl)-2-naphthol: a new chiral auxiliary for the synthesis of enantiopure alpha-aminophosphonic acids.

Metlushka KE, Kashemirov BA, Zheltukhin VF, Sadkova DN, Büchner B, Hess C, Kataeva ON, McKenna CE, Alfonsov VA.

Chemistry. 2009 Jul 6;15(27):6718-22. doi: 10.1002/chem.200802540.


Alpha,beta-difluoromethylene deoxynucleoside 5'-triphosphates: a convenient synthesis of useful probes for DNA polymerase beta structure and function.

Upton TG, Kashemirov BA, McKenna CE, Goodman MF, Prakash GK, Kultyshev R, Batra VK, Shock DD, Pedersen LC, Beard WA, Wilson SH.

Org Lett. 2009 May 7;11(9):1883-6. doi: 10.1021/ol701755k.


Phosphonocarboxylates inhibit the second geranylgeranyl addition by Rab geranylgeranyl transferase.

Baron RA, Tavaré R, Figueiredo AC, Błazewska KM, Kashemirov BA, McKenna CE, Ebetino FH, Taylor A, Rogers MJ, Coxon FP, Seabra MC.

J Biol Chem. 2009 Mar 13;284(11):6861-8. doi: 10.1074/jbc.M806952200. Epub 2008 Dec 11.


Fluorescently labeled risedronate and related analogues: "magic linker" synthesis.

Kashemirov BA, Bala JL, Chen X, Ebetino FH, Xia Z, Russell RG, Coxon FP, Roelofs AJ, Rogers MJ, McKenna CE.

Bioconjug Chem. 2008 Dec;19(12):2308-10. doi: 10.1021/bc800369c.


Metal complexation chemistry used for phosphate and nucleotide determination: an investigation of the Yb3+-pyrocatechol violet sensor.

Gaidamauskas E, Saejueng K, Holder AA, Bharuah S, Kashemirov BA, Crans DC, McKenna CE.

J Biol Inorg Chem. 2008 Nov;13(8):1291-9. doi: 10.1007/s00775-008-0415-2. Epub 2008 Aug 14.


Serine peptide phosphoester prodrugs of cyclic cidofovir: synthesis, transport, and antiviral activity.

Eriksson U, Peterson LW, Kashemirov BA, Hilfinger JM, Drach JC, Borysko KZ, Breitenbach JM, Kim JS, Mitchell S, Kijek P, McKenna CE.

Mol Pharm. 2008 Jul-Aug;5(4):598-609. doi: 10.1021/mp8000099. Epub 2008 May 16.


Farnesyl pyrophosphate synthase enantiospecificity with a chiral risedronate analog, [6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl(hydroxy)methylene]bis(phosphonic acid) (NE-10501): Synthetic, structural, and modeling studies.

Deprèle S, Kashemirov BA, Hogan JM, Ebetino FH, Barnett BL, Evdokimov A, McKenna CE.

Bioorg Med Chem Lett. 2008 May 1;18(9):2878-82. doi: 10.1016/j.bmcl.2008.03.088. Epub 2008 Apr 8.


DNA polymerase beta fidelity: halomethylene-modified leaving groups in pre-steady-state kinetic analysis reveal differences at the chemical transition state.

Sucato CA, Upton TG, Kashemirov BA, Osuna J, Oertell K, Beard WA, Wilson SH, Florián J, Warshel A, McKenna CE, Goodman MF.

Biochemistry. 2008 Jan 22;47(3):870-9. Epub 2007 Dec 28.


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