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Medicinal Chemistry - Latest Publications

RECENT FACULTY PUBLICATION HIGHLIGHTS

William Atkins, Ph.D., Professor
Honaker MT, Acchione M, Zhang W, Mannervik B, Atkins WM. Enzymatic detoxication, conformational selection, and the role of molten globule active sites. J Biol Chem. 2013 Jun 21; 288(25):18599-611. doi: 10.1074/jbc.M112.445767. Epub 2013 May 6.

Conner KP, Vennam P, Woods CM, Krzyaniak MD, Bowman MK, Atkins WM. 1,2,3-Triazole-heme interactions in cytochrome P450: functionally competent triazole-water-heme complexes Biochemistry 2012 Aug 14; 51(32):6441-57. Epub 2012 Jul 31.


Thomas Baillie, Ph.D., Dean
Park BK, Boobis A, Clarke S, Goldring CEP, Jones D, Kenna JG, Lambert C, Laverty HG, Naisbitt DJ, Nelson SD, Nicoll-Griffith DA, Obach RS, Routledge P, Smith DA, Tweedie DJ, Vermeulen N, Williams DP, Wilson ID, Baillie TA. Managing the Challenge of Chemically Reactive Metabolites in Drug Development. Nature Rev Drug Discov. 10, 307-317 (2011).

Singh J, Petter RC, Baillie TA, Whitty A. The Resurgence of Covalent Drugs. Nature Rev Drug Discov 10, 307-317 (2011).

Stepan AF, Walker DP, Bauman J, Price DA, Baillie TA, Kalgutkar AS, Aleo MD. The Structural Alert/Reactive Metabolite Concept as Applied in Medicinal Chemistry to Mitigate the Risk of Idiosyncratic Drug Toxicity: A Perspective Based on the Critical Examination of Trends in the Top 200 Drugs Marketed in the United States. Chem Res Toxicol 24, 1345-1410 (2011).


Carlos Catalano, Ph.D., Professor
Singh P, Nakatani E, Goodlett DR, Catalano CE. A pseudo-atomic model for the capsid shell of bacteriophage lambda using chemical cross-linking/mass spectrometry and molecular modeling. J Mol Biol. 2013 Sep 23; 425(18):3378-88. doi: 10.1016/j.jmb.2013.06.026. Epub 2013 Jun 25.

Andrews BT, Catalano CE. Strong subunit coordination drives a powerful viral DNA packaging motor. Proc Natl Acad Sci USA. 2013 Apr 9; 110(15):5909-14. doi: 10.1073/pnas.1222820110. Epub 2013 Mar 25.


Kent Kunze, Ph.D., Associate Professor
Zhang N, Seguin RP, Kunze KL, Zhang YY, Jeong H. Characterization of inhibition kinetics of (s)-warfarin hydroxylation by noscapine: implications in warfarin therapy. Drug Metab Dispos. 2013 Dec; 41(12):2114-23. doi: 10.1124/dmd.113.053330. Epub2013 Sep 17.

Lutz JD, Vandenbrink BM, Babu KN, Nelson WL, Kunze KL, Isoherranen N. Stereoselective Inhibition of CYP2C19 and CYP3A4 by Fluoxetine and its Metabolite: Implications for Risk Assessment of Multiple Time-Dependent Inhibitor Systems. Drug Metab Dispos 2013 Dec; 41(12):2056-65. doi: 10.1124/dmd.113.052639. Epub 2013 Jun 19.


Kelly Lee, Ph.D., Assistant Professor
Lee KK
. Architecture of a nascent viral fusion pore. The EMBO Journal (2010) 29, 1299-1311.

Guttman M, Lee KK. A Functional Interaction Between gp41 and gp120 is Observed for Monomeric but Not Oligomeric, Uncleaved HIV-1 Env gp140. J Virol. 2013 Nov; 87(21):11462-11475.


Abhinav Nath, Ph.D., Assistant Professor
Nath A, Miranker AD, Rhoades E. A membrane-bound antiparallel dimer of rat islet amyloid polypeptide. Angew Chem Int Ed Engl. 2011 Nov 11; 50(46):10859-62. doi: 10.1002/anie.201102887.

Nath A, Sammalkorpi M, DeWitt DC, Trexler AJ, Elbaum-Garfinkle S, O'Hern CS, Rhoades E. The conformational ensembles of α-synuclein and tau: combining single-molecule FRET and simulations. Biophys J. 2012 Nov 7; 103(9):1940-9. doi: 10.1016/j.bpj.2012.09.032.


Wendel Nelson, Ph.D., Professor
Topletz AR, Thatcher JE, Zelter A, Lutz JD, Tay S, Nelson WL, Isoherranen N. Comparison of the Function and Expression of CYP26A1 and CYP26B1, the two Retinoic Acid Hydroxylases. Biochem Pharmacol. 2012 83:149-163.

Shimshoni JA, Roberts AG, Scian M, Topletz AR, Blankert SA, Halpert JR, Nelson WL, Isoherranen N. Stereoselective Formation and Metabolism of 4-Hydroxy-Retinoic Acid Enantiomers by Cytochrome P450 Enzymes. J Biol Chem. 2012 287:42223-42232.


Allan Rettie, Ph.D., Professor and Chairman
Haque J, McDonald M, Kulman J, Rettie AE.  A cellular system for quantitation of vitamin K cycle activity: structure-activity effects on vitamin K antagonism by warfarin metabolites. Blood. 2013 Dec 2. [Epub ahead of print]

Edson KZ, Prasad B, Unadkat JD, Suhara Y, Okano T, Guengerich FP, Rettie AE. Cytochrome P450-Dependent Catabolism of Vitamin K:ω-Hydroxylation Catalyzed by Human CYP4F2 and CYP4F11. Biochemistry. 2013 Nov 19; 52(46):8276-85. doi: 10.1021/bi401208m. Epub 2013 Nov 7.


Rheem Totah, Ph.D., Associate Professor
Raccor BS, Sun J, Lawrence RF, Li L, Zhang H, Somerman MJ, Totah RA. Quantitation of zoledronic acid in murine bone by liquid chromatography coupled with tandem mass spectrometry. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 15; 935:54-60.

Tamraz B, Fukushima H, Wolfe AR, Kaspera R, Totah RA, Floyd JS, Ma B, Chu C, Marciante KD, Heckbert SR, Psaty BM, Kroetz DL, Kwok PY. OATP1B1-related drug-drug and drug-gene interactions as potential risk factors for cerivastatin-induced rhabdomyolysis. Pharmacogenet Genomics 2013 Jul; 23(7):355-64.