Institute for Therapeutics Discovery and Development

Research Output

Filter
Article
2020

Development of Benzenesulfonamide Derivatives as Potent Glutathione Transferase Omega-1 Inhibitors

Xie, Y., Tummala, P., Oakley, A. J., Deora, G. S., Nakano, Y., Rooke, M., Cuellar, M. E., Strasser, J. M., Dahlin, J. L., Walters, M. A., Casarotto, M. G., Board, P. G. & Baell, J. B., Mar 26 2020, In : Journal of medicinal chemistry. 63, 6, p. 2894-2914 21 p.

Research output: Contribution to journalArticle

Diazepam Prodrug Stabilizes Human Aminopeptidase B during Lyophilization

Rautiola, D., Updyke, J. L., Nelson, K. M. & Siegel, R. A., Feb 3 2020, In : Molecular pharmaceutics. 17, 2, p. 453-460 8 p.

Research output: Contribution to journalArticle

Function and Aggregation in Structural Eye Lens Crystallins

Roskamp, K. W., Paulson, C. N., Brubaker, W. D. & Martin, R. W., Apr 21 2020, In : Accounts of Chemical Research. 53, 4, p. 863-874 12 p.

Research output: Contribution to journalArticle

N-butyldeoxygalactonojirimycin induces reversible infertility in male CD rats

Gupta, V., Hild, S. A., Jakkaraj, S. R., Carlson, E. J., Wong, H. L., Allen, C. L., Georg, G. & Tash, J. S., Jan 1 2020, In : International Journal of Molecular Sciences. 21, 1, 301.

Research output: Contribution to journalArticle

Open Access
2019

3,3′-Disubstituted 5,5′-Bi(1,2,4-triazine) Derivatives with Potent in Vitro and in Vivo Antimalarial Activity

Xue, L., Shi, D. H., Harjani, J. R., Huang, F., Beveridge, J. G., Dingjan, T., Ban, K., Diab, S., Duffy, S., Lucantoni, L., Fletcher, S., Chiu, F. C. K., Blundell, S., Ellis, K., Ralph, S. A., Wirjanata, G., Teguh, S., Noviyanti, R., Chavchich, M., Creek, D. & 10 others, Price, R. N., Marfurt, J., Charman, S. A., Cuellar, M. E., Strasser, J. M., Dahlin, J. L., Walters, M. A., Edstein, M. D., Avery, V. M. & Baell, J. B., Jan 1 2019, In : Journal of Medicinal Chemistry.

Research output: Contribution to journalArticle

1 Scopus citations

A fentanyl vaccine alters fentanyl distribution and protects against fentanyl-induced effects in mice and rats

Raleigh, M. D., Baruffaldi, F., Peterson, S. J., Le Naour, M., Harmon, T. M., Vigliaturo, J. R., Pentel, P. R. & Pravetoni, M., Feb 2019, In : Journal of Pharmacology and Experimental Therapeutics. 368, 2, p. 282-291 10 p.

Research output: Contribution to journalArticle

Open Access
7 Scopus citations

A novel P300 inhibitor reverses DUX4-mediated global histone H3 hyperacetylation, target gene expression, and cell death

Bosnakovski, D., da Silva, M. T., Sunny, S. T., Ener, E. T., Toso, E. A., Yuan, C., Cui, Z., Walters, M. A., Jadhav, A. & Kyba, M., Sep 11 2019, In : Science advances. 5, 9, eaaw7781.

Research output: Contribution to journalArticle

Open Access
3 Scopus citations
Open Access
2 Scopus citations

Discovery of benzoylsulfonohydrazides as potent inhibitors of the histone acetyltransferase KAT6A

Leaver, D. J., Cleary, B., Nguyen, N., Priebbenow, D. L., Lagiakos, H. R., Sanchez, J., Xue, L., Huang, F., Sun, Y., Mujumdar, P., Mudududdla, R., Varghese, S., Teguh, S., Charman, S. A., White, K. L., Katneni, K., Cuellar, M., Strasser, J. M., Dahlin, J. L., Walters, M. A. & 10 others, Street, I. P., Monahan, B. J., Jarman, K. E., Sabroux, H. J., Falk, H., Chung, M. C., Hermans, S. J., Parker, M. W., Thomas, T. & Baell, J. B., Aug 8 2019, In : Journal of medicinal chemistry. 62, 15, p. 7146-7159 14 p.

Research output: Contribution to journalArticle

2 Scopus citations

Intranasal coadministration of a diazepam prodrug with a converting enzyme results in rapid absorption of diazepam in rats

Rautiola, D., Maglalang, P. D., Cheryala, N., Nelson, K. M., Georg, G. I., Fine, J. M., Svitak, A. L., Faltesek, K. A., Hanson, L. R., Mishra, U., Coles, L. D., Cloyd, J. C. & Siegel, R. A., Jan 1 2019, In : Journal of Pharmacology and Experimental Therapeutics. 370, 3, p. 796-805 10 p.

Research output: Contribution to journalArticle

Open Access
3 Scopus citations

The anti-parasitic agent suramin and several of its analogues are inhibitors of the DNA binding protein Mcm10

Paulson, C. N., John, K., Baxley, R. M., Kurniawan, F., Orellana, K., Francis, R., Sobeck, A., Eichman, B. F., Chazin, W. J., Aihara, H., Georg, G. I., Hawkinson, J. E. & Bielinsky, A. K., Aug 1 2019, In : Open biology. 9, 8, 190117.

Research output: Contribution to journalArticle

Open Access
1 Scopus citations
2018

111 In-DANBIRT in Vivo Molecular Imaging of Inflammatory Cells in Atherosclerosis

Mota, R., Campen, M. J., Cuellar, M. E., Garver, W. S., Hesterman, J., Qutaish, M., Daniels, T., Nysus, M., Wagner, C. R. & Norenberg, J. P., Jan 1 2018, In : Contrast Media and Molecular Imaging. 2018, 6508724.

Research output: Contribution to journalArticle

Open Access
1 Scopus citations

ALARM NMR for HTS triage and chemical probe validation

Dahlin, J. L., Cuellar, M., Singh, G., Nelson, K. M., Strasser, J., Rappe, T., Xia, Y., Veglia, G. & Walters, M. A., Mar 1 2018, In : Current protocols in chemical biology. 10, 1, p. 91-117 27 p.

Research output: Contribution to journalArticle

Open Access
3 Scopus citations

Design, Synthesis, and Characterization of a Fluorescence Polarization Pan-BET Bromodomain Probe

Paulson, C. N., Guan, X., Ayoub, A. M., Chan, A., Karim, R. M., Pomerantz, W. C. K., Schönbrunn, E., Georg, G. I. & Hawkinson, J. E., Dec 13 2018, In : ACS Medicinal Chemistry Letters. 9, 12, p. 1223-1229 7 p.

Research output: Contribution to journalArticle

1 Scopus citations

Reduction of protein kinase A-mediated phosphorylation of ATXN1-S776 in Purkinje cells delays onset of Ataxia in a SCA1 mouse model

Pérez Ortiz, J. M., Mollema, N., Toker, N., Adamski, C. J., O'Callaghan, B., Duvick, L., Friedrich, J., Walters, M. A., Strasser, J. M., Hawkinson, J. E., Zoghbi, H. Y., Henzler, C., Orr, H. T. & Lagalwar, S., Aug 2018, In : Neurobiology of Disease. 116, p. 93-105 13 p.

Research output: Contribution to journalArticle

Open Access
4 Scopus citations
Open Access
2 Scopus citations
2017

Assay interference and off-target liabilities of reported histone acetyltransferase inhibitors

Dahlin, J. L., Nelson, K. M., Strasser, J. M., Barsyte-Lovejoy, D., Szewczyk, M. M., Organ, S., Cuellar, M., Singh, G., Shrimp, J. H., Nguyen, N., Meier, J. L., Arrowsmith, C. H., Brown, P. J., Baell, J. B. & Walters, M. A., Dec 1 2017, In : Nature communications. 8, 1, 1527.

Research output: Contribution to journalArticle

Open Access
31 Scopus citations

BET Bromodomain Inhibitors with One-Step Synthesis Discovered from Virtual Screen

Ayoub, A. M., Hawk, L. M. L., Herzig, R. J., Jiang, J., Wisniewski, A. J., Gee, C. T., Zhao, P., Zhu, J. Y., Berndt, N., Offei-Addo, N. K., Scott, T. G., Qi, J., Bradner, J. E., Ward, T. R., Schönbrunn, E., Georg, G. I. & Pomerantz, W. C. K., Jun 22 2017, In : Journal of medicinal chemistry. 60, 12, p. 4805-4817 13 p.

Research output: Contribution to journalArticle

Open Access
19 Scopus citations

GSTO1-1 plays a pro-inflammatory role in models of inflammation, colitis and obesity

Menon, D., Innes, A., Oakley, A. J., Dahlstrom, J. E., Jensen, L. M., Brüstle, A., Tummala, P., Rooke, M., Casarotto, M. G., Baell, J. B., Nguyen, N., Xie, Y., Cuellar, M., Strasser, J., Dahlin, J. L., Walters, M. A., Burgio, G., O'Neill, L. A. J. & Board, P. G., Dec 1 2017, In : Scientific reports. 7, 1, 17832.

Research output: Contribution to journalArticle

Open Access
11 Scopus citations

Potent Pyrimidine and Pyrrolopyrimidine Inhibitors of Testis-Specific Serine/Threonine Kinase 2 (TSSK2)

Hawkinson, J. E., Sinville, R., Mudaliar, D., Shetty, J., Ward, T., Herr, J. C. & Georg, G. I., Nov 22 2017, In : ChemMedChem. 12, 22, p. 1857-1865 9 p.

Research output: Contribution to journalArticle

Open Access
3 Scopus citations

Structural Basis of Wee Kinases Functionality and Inactivation by Diverse Small Molecule Inhibitors

Zhu, J. Y., Cuellar, R. A., Berndt, N., Lee, H. E., Olesen, S. H., Martin, M. P., Jensen, J. T., Georg, G. I. & Schönbrunn, E., Jan 1 2017, In : Journal of medicinal chemistry. 60, 18, p. 7863-7875 13 p.

Research output: Contribution to journalArticle

17 Scopus citations

Styrene energetics and characterization of its conjugate base: An example of isotopic labeling gone awry

Fattahi, A., Lis, L. & Kass, S. R., Feb 1 2017, In : International Journal of Mass Spectrometry. 413, p. 163-167 5 p.

Research output: Contribution to journalArticle

1 Scopus citations

The Essential Medicinal Chemistry of Curcumin

Nelson, K. M., Dahlin, J. L., Bisson, J., Graham, J., Pauli, G. F. & Walters, M. A., Mar 9 2017, In : Journal of medicinal chemistry. 60, 5, p. 1620-1637 18 p.

Research output: Contribution to journalArticle

Open Access
428 Scopus citations
2016
5 Scopus citations

Human Adenine Nucleotide Translocase (ANT) Modulators Identified by High-Throughput Screening of Transgenic Yeast

Zhang, Y., Tian, D., Matsuyama, H., Hamazaki, T., Shiratsuchi, T., Terada, N., Hook, D. J., Walters, M. A., Georg, G. I. & Hawkinson, J. E., Apr 1 2016, In : Journal of Biomolecular Screening. 21, 4, p. 381-390 10 p.

Research output: Contribution to journalArticle

Open Access
3 Scopus citations

Synthesis of Arylazide- and Diazirine-Containing CrAsH-EDT2 Photoaffinity Probes

Syeda, S. S., Rice, D., Hook, D. J., Heckert, L. L. & Georg, G. I., Apr 1 2016, In : Archiv der Pharmazie. 349, 4, p. 233-241 9 p.

Research output: Contribution to journalArticle

Open Access
1 Scopus citations

Synthesis of Arylazide- and Diazirine-Containing CrAsH-EDT 2 Photoaffinity Probes: Unfortunately, in the article

Syeda, S. S., Rice, D., Hook, D. J., Heckert, L. L. & Georg, G. I., 2016, In : Archiv der Pharmazie. 349, 7, p. 572 1 p.

Research output: Contribution to journalArticle

The Fungal Sexual Pheromone Sirenin Activates the Human CatSper Channel Complex

Syeda, S. S., Carlson, E. J., Miller, M. R., Francis, R., Clapham, D. E., Lishko, P. V., Hawkinson, J. E., Hook, D. & Georg, G. I., Feb 19 2016, In : ACS Chemical Biology. 11, 2, p. 452-459 8 p.

Research output: Contribution to journalArticle

Open Access
2 Scopus citations

Transcriptional Inhibitors Identified in a 160,000-Compound Small-Molecule DUX4 Viability Screen

Choi, S. H., Bosnakovski, D., Strasser, J. M., Toso, E. A., Walters, M. A. & Kyba, M., Aug 1 2016, In : Journal of Biomolecular Screening. 21, 7, p. 680-688 9 p.

Research output: Contribution to journalArticle

Open Access
7 Scopus citations

Uncoupling Catalytic and Binding Functions in the Cyclic AMP-Dependent Protein Kinase A

Kim, J., Li, G., Walters, M. A., Taylor, S. S. & Veglia, G., Mar 1 2016, In : Structure. 24, 3, p. 353-363 11 p.

Research output: Contribution to journalArticle

Open Access
10 Scopus citations
2015

PAINS in the assay: Chemical mechanisms of assay interference and promiscuous enzymatic inhibition observed during a sulfhydryl-scavenging HTS

Dahlin, J. L., Nissink, J. W. M., Strasser, J. M., Francis, S., Higgins, L., Zhou, H., Zhang, Z. & Walters, M. A., Mar 12 2015, In : Journal of medicinal chemistry. 58, 5, p. 2091-2113 23 p.

Research output: Contribution to journalArticle

139 Scopus citations

Phosphonooxymethyl Prodrug of Triptolide: Synthesis, Physicochemical Characterization, and Efficacy in Human Colon Adenocarcinoma and Ovarian Cancer Xenografts

Patil, S., Lis, L. G., Schumacher, R. J., Norris, B. J., Morgan, M. L., Cuellar, R. A. D., Blazar, B. R., Suryanarayanan, R., Gurvich, V. J. & Georg, G. I., Dec 10 2015, In : Journal of medicinal chemistry. 58, 23, p. 9334-9344 11 p.

Research output: Contribution to journalArticle

27 Scopus citations

Post-HTS case report and structural alert: Promiscuous 4-aroyl-1,5-disubstituted-3-hydroxy-2H-pyrrol-2-one actives verified by ALARM NMR

Dahlin, J. L., Nissink, J. W. M., Francis, S., Strasser, J. M., John, K., Zhang, Z. & Walters, M. A., Nov 1 2015, In : Bioorganic and Medicinal Chemistry Letters. 25, 21, p. 4740-4752 13 p.

Research output: Contribution to journalArticle

9 Scopus citations

Reformulating Tylocrebrine in Epidermal Growth Factor Receptor Targeted Polymeric Nanoparticles Improves Its Therapeutic Index

Kirtane, A. R., Wong, H. L., Guru, B. R., Lis, L. G., Georg, G. I., Gurvich, V. J. & Panyam, J., Aug 3 2015, In : Molecular pharmaceutics. 12, 8, p. 2912-2923 12 p.

Research output: Contribution to journalArticle

4 Scopus citations

Reprint of "Indenone and cyclopentadienone energetics via mass spectrometry and computations: Are these species antiaromatic or "merely" nonaromatic?"

Fattahi, A., Liebman, J. F., Miranda, M. S., Morais, V. M. F., Matos, M. A. R., Lis, L. & Kass, S. R., Feb 15 2015, In : International Journal of Mass Spectrometry. 378, p. 175-179 5 p., 15268.

Research output: Contribution to journalArticle

1 Scopus citations

Scalable syntheses of the BET bromodomain inhibitor JQ1

Syeda, S. S., Jakkaraj, S. & Georg, G. I., May 25 2015, In : Tetrahedron Letters. 56, 23, p. 3454-3457 4 p.

Research output: Contribution to journalArticle

7 Scopus citations

Synthesis and Pharmacokinetic Evaluation of Siderophore Biosynthesis Inhibitors for Mycobacterium tuberculosis

Nelson, K. M., Viswanathan, K., Dawadi, S., Duckworth, B. P., Boshoff, H. I., Barry, C. E. & Aldrich, C. C., Jul 23 2015, In : Journal of medicinal chemistry. 58, 14, p. 5459-5475 17 p.

Research output: Contribution to journalArticle

17 Scopus citations

Water-soluble benzodiazepine prodrug/enzyme combinations for intranasal rescue therapies

Siegel, R. A., Kapoor, M., Cheryala, N., Georg, G. I. & Cloyd, J. C., Aug 1 2015, In : Epilepsy and Behavior. 49, p. 347-350 4 p.

Research output: Contribution to journalArticle

8 Scopus citations
2014

Anthrax toxin lethal factor domain 3 is highly mobile and responsive to ligand binding

Maize, K. M., Kurbanov, E. K., De La Mora-Rey, T., Geders, T. W., Hwang, D. J., Walters, M. A., Johnson, R. L., Amin, E. A. & Finzel, B. C., Nov 1 2014, In : Acta Crystallographica Section D: Biological Crystallography. 70, 11, p. 2813-2822 10 p.

Research output: Contribution to journalArticle

16 Scopus citations

Indenone and cyclopentadienone energetics via mass spectrometry and computations: Are these species antiaromatic or "merely" nonaromatic?

Fattahi, A., Liebman, J. F., Miranda, M. S., Morais, V. M. F., Matos, M. A. R., Lis, L. & Kass, S. R., Aug 15 2014, In : International Journal of Mass Spectrometry. 369, p. 87-91 5 p.

Research output: Contribution to journalArticle

2 Scopus citations

Picomolar inhibitors of HIV-1 reverse transcriptase: Design and crystallography of naphthyl phenyl ethers

Lee, W. G., Frey, K. M., Gallardo-Macias, R., Spasov, K. A., Bollini, M., Anderson, K. S. & Jorgensen, W. L., Nov 13 2014, In : ACS Medicinal Chemistry Letters. 5, 11, p. 1259-1262 4 p.

Research output: Contribution to journalArticle

Open Access
18 Scopus citations

Putative kappa opioid heteromers as targets for developing analgesics free of adverse effects

Le Naour, M., Lunzer, M. M., Powers, M. D., Kalyuzhny, A. E., Benneyworth, M. A., Thomas, M. J. & Portoghese, P. S., Aug 14 2014, In : Journal of medicinal chemistry. 57, 15, p. 6383-6392 10 p.

Research output: Contribution to journalArticle

23 Scopus citations

Rapid delivery of diazepam from supersaturated solutions prepared using prodrug/enzyme mixtures: Toward intranasal treatment of seizure emergencies

Kapoor, M., Winter, T., Lis, L., Georg, G. I. & Siegel, R. A., May 2014, In : AAPS Journal. 16, 3, p. 577-585 9 p.

Research output: Contribution to journalArticle

10 Scopus citations

SLC28A3 genotype and gemcitabine rate of infusion affect dFdCTP metabolite disposition in patients with solid tumours

Khatri, A., Williams, B. W., Fisher, J., Brundage, R. C., Gurvich, V. J., Lis, L. G., Skubitz, K. M., Dudek, A. Z., Greeno, E. W., Kratzke, R. A., Lamba, J. K. & Kirstein, M. N., Jan 21 2014, In : British Journal of Cancer. 110, 2, p. 304-312 9 p.

Research output: Contribution to journalArticle

12 Scopus citations

Specific inhibition of p97/VCP ATPase and kinetic analysis demonstrate interaction between D1 and D2 ATPase domains

Chou, T. F., Bulfer, S. L., Weihl, C. C., Li, K., Lis, L. G., Walters, M. A., Schoenen, F. J., Lin, H. J., Deshaies, R. J. & Arkin, M. R., Jul 29 2014, In : Journal of Molecular Biology. 426, 15, p. 2886-2899 14 p.

Research output: Contribution to journalArticle

58 Scopus citations

Structure-based evaluation of C5 derivatives in the catechol diether series targeting HIV-1 reverse transcriptase

Frey, K. M., Gray, W. T., Spasov, K. A., Bollini, M., Gallardo-Macias, R., Jorgensen, W. L. & Anderson, K. S., May 2014, In : Chemical Biology and Drug Design. 83, 5, p. 541-549 9 p.

Research output: Contribution to journalArticle

14 Scopus citations
2013

A cell-free fluorometric high-throughput screen for inhibitors of Rtt109-catalyzed histone acetylation

Dahlin, J. L., Sinville, R., Solberg, J., Zhou, H., Han, J., Francis, S., Strasser, J. M., John, K., Hook, D. J., Walters, M. A. & Zhang, Z., Nov 18 2013, In : PloS one. 8, 11, e78877.

Research output: Contribution to journalArticle

12 Scopus citations

A practical and scalable manufacturing process for an antifungal agent, nikkomycin Z

Stenland, C. J., Lis, L. G., Schendel, F. J., Hahn, N. J., Smart, M. A., Miller, A. L., Von Keitz, M. G. & Gurvich, V. J., Feb 15 2013, In : Organic Process Research and Development. 17, 2, p. 265-272 8 p.

Research output: Contribution to journalArticle

7 Scopus citations

Bivalent ligands that target μ opioid (MOP) and cannabinoid1 (CB 1) receptors are potent analgesics devoid of tolerance

Le Naour, M., Akgün, E., Yekkirala, A., Lunzer, M. M., Powers, M. D., Kalyuzhny, A. E. & Portoghese, P. S., Jul 11 2013, In : Journal of medicinal chemistry. 56, 13, p. 5505-5513 9 p.

Research output: Contribution to journalArticle

54 Scopus citations