Identification of annotated bioactive molecules that impair motility of the blood fluke Schistosoma mansoni
Duguet, Thomas B., Glebov, Anastasia, Hussain, Asimah, Kulkarni, Shashank, Mochalkin, Igor, Geary, Timothy G., Rashid, Mohammed, Spangenberg, Thomas, Ribeiro, Paula
Published in International journal for parasitology -- drugs and drug resistance (01.08.2020)
Published in International journal for parasitology -- drugs and drug resistance (01.08.2020)
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Journal Article
Characterization of substrate binding and catalysis in the potential antibacterial target N‐acetylglucosamine‐1‐phosphate uridyltransferase (GlmU)
Mochalkin, Igor, Lightle, Sandra, Zhu, Yaqi, Ohren, Jeffrey F., Spessard, Cindy, Chirgadze, Nickolay Y., Banotai, Craig, Melnick, Michael, McDowell, Laura
Published in Protein science (01.12.2007)
Published in Protein science (01.12.2007)
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Journal Article
Binding thermodynamics of substituted diaminopyrimidine renin inhibitors
Sarver, Ronald W., Peevers, Jeanette, Cody, Wayne L., Ciske, Fred L., Dyer, Jim, Emerson, S. Donald, Hagadorn, Jeanne C., Holsworth, Daniel D., Jalaie, Mehran, Kaufman, Michael, Mastronardi, Michelle, McConnell, Patrick, Powell, Noel A., Quin, John, Van Huis, Chad A., Zhang, Erli, Mochalkin, Igor
Published in Analytical biochemistry (2007)
Published in Analytical biochemistry (2007)
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Journal Article
Crystal structure of native chicken fibrinogen at 5.5-Å resolution
Yang, Z, Mochalkin, I, Veerapandian, L, Riley, M, Doolittle, R F
Published in Proceedings of the National Academy of Sciences - PNAS (11.04.2000)
Published in Proceedings of the National Academy of Sciences - PNAS (11.04.2000)
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Journal Article
Large-Scale Assessment of Binding Free Energy Calculations in Active Drug Discovery Projects
Schindler, Christina E. M, Baumann, Hannah, Blum, Andreas, Böse, Dietrich, Buchstaller, Hans-Peter, Burgdorf, Lars, Cappel, Daniel, Chekler, Eugene, Czodrowski, Paul, Dorsch, Dieter, Eguida, Merveille K. I, Follows, Bruce, Fuchß, Thomas, Grädler, Ulrich, Gunera, Jakub, Johnson, Theresa, Jorand Lebrun, Catherine, Karra, Srinivasa, Klein, Markus, Knehans, Tim, Koetzner, Lisa, Krier, Mireille, Leiendecker, Matthias, Leuthner, Birgitta, Li, Liwei, Mochalkin, Igor, Musil, Djordje, Neagu, Constantin, Rippmann, Friedrich, Schiemann, Kai, Schulz, Robert, Steinbrecher, Thomas, Tanzer, Eva-Maria, Unzue Lopez, Andrea, Viacava Follis, Ariele, Wegener, Ansgar, Kuhn, Daniel
Published in Journal of chemical information and modeling (23.11.2020)
Published in Journal of chemical information and modeling (23.11.2020)
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Journal Article
Inhibition of RAF Isoforms and Active Dimers by LY3009120 Leads to Anti-tumor Activities in RAS or BRAF Mutant Cancers
Peng, Sheng-Bin, Henry, James R., Kaufman, Michael D., Lu, Wei-Ping, Smith, Bryan D., Vogeti, Subha, Rutkoski, Thomas J., Wise, Scott, Chun, Lawrence, Zhang, Youyan, Van Horn, Robert D., Yin, Tinggui, Zhang, Xiaoyi, Yadav, Vipin, Chen, Shih-Hsun, Gong, Xueqian, Ma, Xiwen, Webster, Yue, Buchanan, Sean, Mochalkin, Igor, Huber, Lysiane, Kays, Lisa, Donoho, Gregory P., Walgren, Jennie, McCann, Denis, Patel, Phenil, Conti, Ilaria, Plowman, Gregory D., Starling, James J., Flynn, Daniel L.
Published in Cancer cell (14.09.2015)
Published in Cancer cell (14.09.2015)
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Journal Article
Discovery of Evobrutinib: An Oral, Potent, and Highly Selective, Covalent Bruton’s Tyrosine Kinase (BTK) Inhibitor for the Treatment of Immunological Diseases
Caldwell, Richard D, Qiu, Hui, Askew, Ben C, Bender, Andrew T, Brugger, Nadia, Camps, Montserrat, Dhanabal, Mohanraj, Dutt, Vikram, Eichhorn, Thomas, Gardberg, Anna S, Goutopoulos, Andreas, Grenningloh, Roland, Head, Jared, Healey, Brian, Hodous, Brian L, Huck, Bayard R, Johnson, Theresa L, Jones, Christopher, Jones, Reinaldo C, Mochalkin, Igor, Morandi, Federica, Nguyen, Ngan, Meyring, Michael, Potnick, Justin R, Santos, Dusica Cvetinovic, Schmidt, Ralf, Sherer, Brian, Shutes, Adam, Urbahns, Klaus, Follis, Ariele Viacava, Wegener, Ansgar A, Zimmerli, Simone C, Liu-Bujalski, Lesley
Published in Journal of medicinal chemistry (12.09.2019)
Published in Journal of medicinal chemistry (12.09.2019)
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Journal Article
Oncogenic BRAF Deletions That Function as Homodimers and Are Sensitive to Inhibition by RAF Dimer Inhibitor LY3009120
Chen, Shih-Hsun, Zhang, Youyan, Van Horn, Robert D, Yin, Tinggui, Buchanan, Sean, Yadav, Vipin, Mochalkin, Igor, Wong, Swee Seong, Yue, Yong Gang, Huber, Lysiane, Conti, Ilaria, Henry, James R, Starling, James J, Plowman, Gregory D, Peng, Sheng-Bin
Published in Cancer discovery (01.03.2016)
Published in Cancer discovery (01.03.2016)
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Journal Article
Identification of Clinical Candidate M2698, a Dual p70S6K and Akt Inhibitor, for Treatment of PAM Pathway-Altered Cancers
DeSelm, Lizbeth, Huck, Bayard, Lan, Ruoxi, Neagu, Constantin, Potnick, Justin, Xiao, Yufang, Chen, Xiaoling, Jones, Reinaldo, Richardson, Thomas E, Heasley, Brian H, Haxell, Thomas, Moore, Joseph, Tian, Hui, Georgi, Katrin, Rohdich, Felix, Sutton, Amanda, Johnson, Theresa, Mochalkin, Igor, Jackson, Jennifer, Lin, Jing, Crowley, Lindsey, Machl, Andreas, Clark, Anderson, Wilker, Erik, Sherer, Brian, Goutopoulos, Andreas
Published in Journal of medicinal chemistry (14.10.2021)
Published in Journal of medicinal chemistry (14.10.2021)
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Journal Article
Discovery of potent, highly selective covalent irreversible BTK inhibitors from a fragment hit
Qiu, Hui, Liu-Bujalski, Lesley, Caldwell, Richard D, Follis, Ariele Viacava, Gardberg, Anna, Goutopoulos, Andreas, Grenningloh, Roland, Head, Jared, Johnson, Theresa, Jones, Reinaldo, Mochalkin, Igor, Morandi, Federica, Neagu, Constantin, Sherer, Brian
Published in Bioorganic & medicinal chemistry letters (15.09.2018)
Published in Bioorganic & medicinal chemistry letters (15.09.2018)
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Journal Article
Corrigendum to “Discovery of 4-aminopyrimidine analogs as highly potent dual P70S6K/Akt inhibitors” [Bioorgan. Med. Chem. Lett. 50 (2021) 128352]
Xiao, Yufang, Huck, Bayard R., Lan, Ruoxi, DeSelm, Lizbeth, Chen, Xiaoling, Qiu, Hui, Neagu, Constantin, Johnson, Theresa, Mochalkin, Igor, Gardberg, Anna, Jiang, Xuliang, Tian, Hui, Dutt, Vikram, Santos, Dusica, Head, Jared, Jackson, Jennifer, Syed, Sakeena, Lin, Jing, Wilker, Erik, Ma, Jianguo, Clark, Anderson, Machl, Andreas, Bankston, Donald, Jones, Christopher C.V., Goutopoulos, Andreas, Sherer, Brian
Published in Bioorganic & medicinal chemistry letters (01.07.2022)
Published in Bioorganic & medicinal chemistry letters (01.07.2022)
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Journal Article
Discovery of a novel series of pyridine and pyrimidine carboxamides as potent and selective covalent inhibitors of Btk
Caldwell, Richard, Liu-Bujalski, Lesley, Qiu, Hui, Mochalkin, Igor, Jones, Reinaldo, Neagu, Constantin, Goutopoulos, Andreas, Grenningloh, Roland, Johnson, Theresa, Sherer, Brian, Gardberg, Anna, Follis, Ariele Viacava, Morandi, Federica, Head, Jared
Published in Bioorganic & medicinal chemistry letters (15.11.2018)
Published in Bioorganic & medicinal chemistry letters (15.11.2018)
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Journal Article
Discovery of 4-aminopyrimidine analogs as highly potent dual P70S6K/Akt inhibitors
Xiao, Yufang, Huck, Bayard R., Lan, Ruoxi, DeSelm, Lizbeth, Chen, Xiaoling, Qiu, Hui, Neagu, Constantin, Johnson, Theresa, Mochalkin, Igor, Gardberg, Anna, Jiang, Xuliang, Tian, Hui, Dutt, Vikram, Santos, Dusica, Head, Jared, Jackson, Jennifer, Syed, Sakeena, Lin, Jing, Wilker, Erik, Ma, Jianguo, Clark, Anderson, Machl, Andreas, Bankston, Donald, Jones, Christopher C.V., Goutopoulos, Andreas, Sherer, Brian
Published in Bioorganic & medicinal chemistry letters (15.10.2021)
Published in Bioorganic & medicinal chemistry letters (15.10.2021)
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Journal Article
Optimization of the efflux ratio and permeability of covalent irreversible BTK inhibitors
Qiu, Hui, Liu-Bujalski, Lesley, Caldwell, Richard D., Viacava Follis, Ariele, Gardberg, Anna, Goutopoulos, Andreas, Grenningloh, Roland, Head, Jared, Johnson, Theresa, Jones, Christopher C.V., Jones, Reinaldo, Mochalkin, Igor, Morandi, Federica, Neagu, Constantin, Potnick, Justin, Sherer, Brian
Published in Bioorganic & medicinal chemistry letters (01.11.2018)
Published in Bioorganic & medicinal chemistry letters (01.11.2018)
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Journal Article
Structure of a small‐molecule inhibitor complexed with GlmU from Haemophilus influenzae reveals an allosteric binding site
Mochalkin, Igor, Lightle, Sandra, Narasimhan, Lakshmi, Bornemeier, Dirk, Melnick, Michael, VanderRoest, Steven, McDowell, Laura
Published in Protein science (01.03.2008)
Published in Protein science (01.03.2008)
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Journal Article
class of selective antibacterials derived from a protein kinase inhibitor pharmacophore
Miller, J. Richard, Dunham, Steve, Mochalkin, Igor, Banotai, Craig, Bowman, Matthew, Buist, Susan, Dunkle, Bill, Hanna, Debra, Harwood, H. James, Huband, Michael D, Karnovsky, Alla, Kuhn, Michael, Limberakis, Chris, Liu, Jia Y, Mehrens, Shawn, Mueller, W. Thomas, Narasimhan, Lakshmi, Ogden, Adam, Ohren, Jeff, Prasad, J.V.N. Vara, Shelly, John A, Skerlos, Laura, Sulavik, Mark, Thomas, V. Hayden, VanderRoest, Steve, Wang, LiAnn, Wang, Zhigang, Whitton, Amy, Zhu, Tong, Stover, C. Kendall
Published in Proceedings of the National Academy of Sciences - PNAS (10.02.2009)
Published in Proceedings of the National Academy of Sciences - PNAS (10.02.2009)
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Journal Article