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Conformationally Defined Rexinoids and Their Efficacy in the Prevention of Mammary Cancers.

Atigadda VR, Xia G, Deshpande A, Wu L, Kedishvili N, Smith CD, Krontiras H, Bland KI, Grubbs CJ, Brouillette WJ, Muccio DD.

J Med Chem. 2015 Oct 8;58(19):7763-74. doi: 10.1021/acs.jmedchem.5b00829. Epub 2015 Sep 22.


Methyl substitution of a rexinoid agonist improves potency and reveals site of lipid toxicity.

Atigadda VR, Xia G, Desphande A, Boerma LJ, Lobo-Ruppert S, Grubbs CJ, Smith CD, Brouillette WJ, Muccio DD.

J Med Chem. 2014 Jun 26;57(12):5370-80. doi: 10.1021/jm5004792. Epub 2014 Jun 5.


Methyl-substituted conformationally constrained rexinoid agonists for the retinoid X receptors demonstrate improved efficacy for cancer therapy and prevention.

Desphande A, Xia G, Boerma LJ, Vines KK, Atigadda VR, Lobo-Ruppert S, Grubbs CJ, Moeinpour FL, Smith CD, Christov K, Brouillette WJ, Muccio DD.

Bioorg Med Chem. 2014 Jan 1;22(1):178-85. doi: 10.1016/j.bmc.2013.11.039. Epub 2013 Dec 1.


A highly predictive 3D-QSAR model for binding to the voltage-gated sodium channel: design of potent new ligands.

Zha C, Brown GB, Brouillette WJ.

Bioorg Med Chem. 2014 Jan 1;22(1):95-104. doi: 10.1016/j.bmc.2013.11.049. Epub 2013 Dec 6.


Pyrrolidinobenzoic acid inhibitors of influenza virus neuraminidase: the hydrophobic side chain influences type A subtype selectivity.

Li Y, Silamkoti A, Kolavi G, Mou L, Gulati S, Air GM, Brouillette WJ.

Bioorg Med Chem. 2012 Jul 15;20(14):4582-9. doi: 10.1016/j.bmc.2012.05.001. Epub 2012 May 17.


Crystal structure of a new benzoic acid inhibitor of influenza neuraminidase bound with a new tilt induced by overpacking subsite C6.

Venkatramani L, Johnson ES, Kolavi G, Air GM, Brouillette WJ, Mooers BH.

BMC Struct Biol. 2012 May 6;12:7. doi: 10.1186/1472-6807-12-7.


Synthesis of biotin-tagged chemical cross-linkers and their applications for mass spectrometry.

Kang S, Mou L, Lanman J, Velu S, Brouillette WJ, Prevelige PE Jr.

Rapid Commun Mass Spectrom. 2009 Jun;23(11):1719-26. doi: 10.1002/rcm.4066.


SAR studies for a new class of antibacterial NAD biosynthesis inhibitors.

Moro WB, Yang Z, Kane TA, Zhou Q, Harville S, Brouillette CG, Brouillette WJ.

J Comb Chem. 2009 Jul-Aug;11(4):617-25. doi: 10.1021/cc9000357.


Virtual screening to identify lead inhibitors for bacterial NAD synthetase (NADs).

Moro WB, Yang Z, Kane TA, Brouillette CG, Brouillette WJ.

Bioorg Med Chem Lett. 2009 Apr 1;19(7):2001-5. doi: 10.1016/j.bmcl.2009.02.034. Epub 2009 Feb 12.


Prevention of KLF4-mediated tumor initiation and malignant transformation by UAB30 rexinoid.

Jiang W, Deng W, Bailey SK, Nail CD, Frost AR, Brouillette WJ, Muccio DD, Grubbs CJ, Ruppert JM, Lobo-Ruppert SM.

Cancer Biol Ther. 2009 Feb;8(3):289-98. Epub 2009 Feb 21.


Structure of nicotinic acid mononucleotide adenylyltransferase from Bacillus anthracis.

Lu S, Smith CD, Yang Z, Pruett PS, Nagy L, McCombs D, Delucas LJ, Brouillette WJ, Brouillette CG.

Acta Crystallogr Sect F Struct Biol Cryst Commun. 2008 Oct 1;64(Pt 10):893-8. doi: 10.1107/S1744309108029102. Epub 2008 Sep 30.


The Novel Retinoid, 9cUAB30, Inhibits Telomerase and Induces Apoptosis in HL60 Cells.

Love WK, Deangelis JT, Berletch JB, Phipps SM, Andrews LG, Brouillette WJ, Muccio DD, Tollefsbol TO.

Transl Oncol. 2008 Sep;1(3):148-52.


Structural adaptation of an interacting non-native C-terminal helical extension revealed in the crystal structure of NAD+ synthetase from Bacillus anthracis.

McDonald HM, Pruett PS, Deivanayagam C, Protasevich II, Carson WM, DeLucas LJ, Brouillette WJ, Brouillette CG.

Acta Crystallogr D Biol Crystallogr. 2007 Aug;63(Pt 8):891-905. Epub 2007 Jul 17.


Antibacterial nicotinamide adenine dinucleotide synthetase inhibitors: amide- and ether-linked tethered dimers with alpha-amino acid end groups.

Velu SE, Mou L, Luan CH, Yang ZW, DeLucas LJ, Brouillette CG, Brouillette WJ.

J Med Chem. 2007 May 31;50(11):2612-21. Epub 2007 May 10.


In vitro metabolic characterization, phenotyping, and kinetic studies of 9cUAB30, a retinoid X receptor-specific retinoid.

Gorman GS, Coward L, Kerstner-Wood C, Cork L, Kapetanovic IM, Brouillette WJ, Muccio DD.

Drug Metab Dispos. 2007 Jul;35(7):1157-64. Epub 2007 Apr 19.


Efficacy of new retinoids in the prevention of mammary cancers and correlations with short-term biomarkers.

Grubbs CJ, Lubet RA, Atigadda VR, Christov K, Deshpande AM, Tirmal V, Xia G, Bland KI, Eto I, Brouillette WJ, Muccio DD.

Carcinogenesis. 2006 Jun;27(6):1232-9. Epub 2005 Dec 12.


Tethered dimer inhibitors of NAD synthetase: parallel synthesis of an aryl-substituted SAR library.

Velu SE, Luan CH, Delucas LJ, Brouillette CG, Brouillette WJ.

J Comb Chem. 2005 Nov-Dec;7(6):898-904.


A benzoic acid inhibitor induces a novel conformational change in the active site of Influenza B virus neuraminidase.

Lommer BS, Ali SM, Bajpai SN, Brouillette WJ, Air GM, Luo M.

Acta Crystallogr D Biol Crystallogr. 2004 Jun;60(Pt 6):1017-23. Epub 2004 May 21.


Dimethyl sulfoxide at 2.5% (v/v) alters the structural cooperativity and unfolding mechanism of dimeric bacterial NAD+ synthetase.

Yang ZW, Tendian SW, Carson WM, Brouillette WJ, Delucas LJ, Brouillette CG.

Protein Sci. 2004 Mar;13(3):830-41.

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