Medicinal Chemistry - Latest Publications
William Atkins, Ph.D., Professor
Ritchie TK, Kwon H, Atkins WM. Conformational analysis of human ATP-binding cassette transporter ABCB1 in lipid nanodiscs and inhibition by the antibodies MRK16 and UIC2. J Biol Chem 286, 39489-39496 (2011).
Honaker MT, Acchione M, Sumida JP, Atkins WM. Ensemble perspective for catalytic promiscuity: calorimetric analysis of the active site conformational landscape of a detoxification enzyme. J Biol Chem 286, 42770-42776 (2011).
Conner K, Vennam P, Krzyaniak M, Woods C, Bowman M, Atkins WM. 1,2,3-Triazole-heme interactions in cytochrome P450: Functionally competent triazole-water-heme complexes. Biochemistry 51, 6441-6457 (2012).
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, 292-306 (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
Chang JR, Andrews BT, Catalano CE. Energy Independent Helicase Activity of a Viral Genome Packaging. Biochemistry 51, 391-400 (2012).
Medina E, Nakatani E, Kruse S, Catalano CE. Thermodynamic Characterization of Viral Procapsid Expansion into a Functional Capsid Shell. J Mol Biol 412, 723-736 (2012).
Nurmemmedov EM, Castelnovo M, Medina E, Catalano CE, Evilevitch A. Challenging Packaging Limits and Infectivity of Phage Lambda. Journal of Molecular Biology 415, 263-273 (2012).
David Goodlett, Ph.D., Professor
Li Y, Powell DA, Shaffer SA, Rasko DA, Pelletier MR, Leszyk JD, Scott AJ, Masoudi A, Goodlett DR, Wang X, Raetz CR, Ernst RK. LPS remodeling is an evolved survival strategy for bacteria. Proc Natl Acad Sci 109, 8716-8721 (2012).
Icenogle LM, Hengel SM, Coye LH, Streifel A, Collins CM, Goodlett DR, Moseley SL. Molecular and biological characterization of the streptococcal SpyA-mediated ADP-ribosylation of the intermediate filament protein vimentin. J Biol Chem 287, 21481-21491 (2012).
Kent Kunze, Ph.D., Associate Professor
Peng CC, Templeton I, Thummel KE, Davis C, Kunze KL, Isoherranen N. Evaluation of 6b-hydroxycortisol, 6b-hydroxycortisol, and a combination of the two as endogenous probes for inhibition of CYP3A4 in vivo. Clin Pharmacol Ther 89, 888-895 (2011).
Fujioka Y, Kunze KL, Isoherranen N. Risk Assessment of Mechanism-based Inactivation in Drug-Drug Interactions. Drug Metab Dispos 40, 1653-1657 (2012).
Kelly Lee, Ph.D., Assistant Professor
Lee KK, Pessi A, Gui L, Santoprete A, Talekar A, Moscona A, Porotto M. Capturing a fusion intermediate of ifluenza hemagglutinin with a cholesterol-conjugated peptide, a new antiviral strategy for influenza virus. J Biol Chem 286, 42141-42149 (2011).
Guttman M, Scian M, Lee KK. Tracking hydrogen/deuterium exchange at glycan sites in glycoproteins by mass spectrometry. Anal Chem 83, 7492-7499 (2011).
Guttman M, Kahn M, Garcia NK, Hu SL, Lee KK. Solution Structure, Conformational Dynamics, and CD4-induced Activation in Full-length, Glycosylated, Monomeric HIV gp120. J Virol 86, 8750-8764 (2012).
Wendel Nelson, Ph.D., Professor
Babu KN, Kunze KL, Nelson WL. Metabolism of Diltiazem. A Short Efficient Synthesis of N,N-Didesmethyldiltiazem - An Important Product of N-Demethylation. Synthesis 553-554 (2011).
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 83, 149-163 (2012).
Allan Rettie, Ph.D., Professor and Chairman
Baillie TA, Rettie AE. Role of Biotransformation in Drug-Induced Toxicity: Influence of Intra- and Inter-Species Differences in Drug Metabolism. Drug Metab Pharmacokinet 26, 15-29 (2011).
Kelly EJ, Nakano M, Rohatgi P, Yarov-Yarovoy V, Rettie AE. Finding homes for orphan cytochrome P450s: CYP4V2 and CYP4F22 in disease states. Mol Interv 11: 124-132 (2011).
Nakano M, Kelly EJ, Wiek C, Hanenberg H, Rettie AE. CYP4V2 in Bietti's Crystalline Dystrophy: Ocular Localization, Metabolism of w-3 Polyunsaturated Fatty Acids and Functional Deficit of the p.H331P Variant. Mol Pharmacol 82:679-86 (2012).
Rheem Totah, Ph.D., Associate Professor
Kaspera R, Naraharisetti SB, Evangelista EA, Marciante KD, Psaty BM, Totah RA. Drug metabolism by CYP2C8.3 is determined by substrate dependent interactions with cytochrome P450 reductase and cytochrome b5. Biochem Pharmacol 20, 619-629 (2011).
Marciante KD, Durda JP, Heckbert SR, Lumley T, Rice K, McKnight B, Totah RA, Tamraz B, Kroetz DL, Fukushima H, Kaspera R, Bis JC, Glazer NL, Li G, Austin TR, Taylor KD, Rotter JI, Jaquish CE, Kwok PY, Tracy RP, Psaty BM. Cerivastatin, genetic ariants, and the risk of rhabdomyolysis. Pharmacogenet Genomics 21, 280-288 (2011).
Kaspera R, Sahele T, Lakatos K, Totah RA. Cytochrome P450BM-3 reduces aldehydes to alcohols through a direct hydride transfer. Biochem Biophys Res Commun 418, 464-468 (2012).
