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Inhibitors of protein–protein interactions: New methodologies to tackle this challenge

Silvian, Laura ; Enyedy, Istvan ; Kumaravel, Gnanasambandam

Drug Discovery Today: Technologies, December 2013, Vol.10(4), pp.e509-e515 [Peer Reviewed Journal]

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Inhibitors of protein-protein interactions: new methodologies to tackle this challenge

Silvian, Laura ; Enyedy, Istvan ; Kumaravel, Gnanasambandam

Drug discovery today. Technologies, December 2013, Vol.10(4), pp.e509-15 [Peer Reviewed Journal]

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Small molecules inhibit the interaction of Nrf2 and the Keap1 Kelch domain through a non-covalent mechanism

Marcotte, Douglas ; Zeng, Weike ; Hus, Jean-Christophe ; Mckenzie, Andres ; Hession, Cathy ; Jin, Ping ; Bergeron, Chris ; Lugovskoy, Alexey ; Enyedy, Istvan ; Cuervo, Hernan ; Wang, Deping ; Atmanene, Cédric ; Roecklin, Dominique ; Vecchi, Malgorzata ; Vivat, Valérie ; Kraemer, Joachim ; Winkler, Dirk ; Hong, Victor ; Chao, Jianhua ; Lukashev, Matvey ; Silvian, Laura

Bioorganic & Medicinal Chemistry, 15 July 2013, Vol.21(14), pp.4011-4019 [Peer Reviewed Journal]

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Probing the Active Site of Acetylcholinesterase by Molecular Dynamics of Its Phosphonate Ester Adducts †
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Probing the Active Site of Acetylcholinesterase by Molecular Dynamics of Its Phosphonate Ester Adducts †

Bencsura, Akos ; Enyedy, Istvan Y. ; Kovach, Ildiko M.

Journal of the American Chemical Society, 01/1996, Vol.118(36), pp.8531-8541 [Peer Reviewed Journal]

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Alternate Pathways for Acetic Acid and Acetate ion Release from Acetylcholinesterase:  a Molecular Dynamics Study
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Alternate Pathways for Acetic Acid and Acetate ion Release from Acetylcholinesterase:  a Molecular Dynamics Study

Enyedy, Istvan J. ; Kovach, Ildiko M. ; Brooks, Bernard R.

Journal of the American Chemical Society, 08/1998, Vol.120(32), pp.8043-8050 [Peer Reviewed Journal]

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6
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EC144 is a potent inhibitor of the heat shock protein 90

Shi, Jiandong ; Van De Water, Ryan ; Hong, Kevin ; Lamer, Ryan B ; Weichert, Kenneth W ; Sandoval, Cristina M ; Kasibhatla, Srinivas R ; Boehm, Marcus F ; Chao, Jianhua ; Lundgren, Karen ; Timple, Noelito ; Lough, Rachel ; Ibanez, Gerardo ; Boykin, Christina ; Burrows, Francis J ; Kehry, Marilyn R ; Yun, Theodore J ; Harning, Erin K ; Ambrose, Christine ; Thompson, Jeffrey ; Bixler, Sarah A ; Dunah, Anthone ; Snodgrass-Belt, Pamela ; Arndt, Joseph ; Enyedy, Istvan J ; Li, Ping ; Hong, Victor S ; Mckenzie, Andres ; Biamonte, Marco A

Journal of medicinal chemistry, 13 September 2012, Vol.55(17), pp.7786-95 [Peer Reviewed Journal]

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7
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Discovery of biaryls as RORγ inverse agonists by using structure-based design

Enyedy, Istvan J ; Powell, Noel A ; Caravella, Justin ; van Vloten, Kurt ; Chao, Jianhua ; Banerjee, Daliya ; Marcotte, Douglas ; Silvian, Laura ; Mckenzie, Andres ; Hong, Victor Sukbong ; Fontenot, Jason D

Bioorganic & Medicinal Chemistry Letters, 15 May 2016, Vol.26(10), pp.2459-2463 [Peer Reviewed Journal]

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8
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Discovery of novel pyrazole-containing benzamides as potent RORγ inverse agonists

Wang, Tao ; Banerjee, Daliya ; Bohnert, Tonika ; Chao, Jianhua ; Enyedy, Istvan ; Fontenot, Jason ; Guertin, Kevin ; Jones, Howard ; Lin, Edward Y ; Marcotte, Douglas ; Talreja, Tina ; Van Vloten, Kurt

Bioorganic & Medicinal Chemistry Letters, 01 August 2015, Vol.25(15), pp.2985-2990 [Peer Reviewed Journal]

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Identification of potent and selective amidobipyridyl inhibitors of protein kinase D

Meredith, Erik L ; Beattie, Kimberly ; Burgis, Robin ; Capparelli, Michael ; Chapo, Joseph ; Dipietro, Lucian ; Gamber, Gabriel ; Enyedy, Istvan ; Hood, David B ; Hosagrahara, Vinayak ; Jewell, Charles ; Koch, Keith A ; Lee, Wendy ; Lemon, Douglas D ; Mckinsey, Timothy A ; Miranda, Karl ; Pagratis, Nikos ; Phan, Dillon ; Plato, Craig ; Rao, Chang ; Rozhitskaya, Olga ; Soldermann, Nicolas ; Springer, Clayton ; Van Eis, Maurice ; Vega, Richard B ; Yan, Wanlin ; Zhu, Qingming ; Monovich, Lauren G

Journal of medicinal chemistry, 12 August 2010, Vol.53(15), pp.5422-38 [Peer Reviewed Journal]

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Synthesis of 2-alkyl-3-aryl-substituted quinuclidines as novel dopamine transporter inhibitors

Sakamuri, Sukumar ; Enyedy, Istvan J ; Kozikowski, Alan P ; Wang, Shaomeng

Tetrahedron Letters, 2000, Vol.41(51), pp.9949-9952 [Peer Reviewed Journal]

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11
Structure-Based Approach for the Discovery of Bis-benzamidines as Novel Inhibitors of Matriptase
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Structure-Based Approach for the Discovery of Bis-benzamidines as Novel Inhibitors of Matriptase

Enyedy, Istvan J. ; Lee, Sheau-Ling ; Kuo, Angera H. ; Dickson, Robert B. ; Lin, Chen-Yong ; Wang, Shaomeng

Journal of Medicinal Chemistry, 04/2001, Vol.44(9), pp.1349-1355 [Peer Reviewed Journal]

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12
Structural Basis of Binding of High-Affinity Ligands to Protein Kinase C:  Prediction of the Binding Modes through a New Molecular Dynamics Method and Evaluation by Site-Directed Mutagenesis
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Structural Basis of Binding of High-Affinity Ligands to Protein Kinase C:  Prediction of the Binding Modes through a New Molecular Dynamics Method and Evaluation by Site-Directed Mutagenesis

Pak, Youngshang ; Enyedy, Istvan J. ; Varady, Judith ; Kung, Justin W. ; Lorenzo, Patricia S. ; Blumberg, Peter M. ; Wang, Shaomeng

Journal of Medicinal Chemistry, 05/2001, Vol.44(11), pp.1690-1701 [Peer Reviewed Journal]

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13
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Discovery of biaryl carboxylamides as potent RORγ inverse agonists

Chao, Jianhua ; Enyedy, Istvan ; Van Vloten, Kurt ; Marcotte, Douglas ; Guertin, Kevin ; Hutchings, Richard ; Powell, Noel ; Jones, Howard ; Bohnert, Tonika ; Peng, Chi-Chi ; Silvian, Laura ; Hong, Victor Sukbong ; Little, Kevin ; Banerjee, Daliya ; Peng, Liaomin ; Taveras, Arthur ; Viney, Joanne L ; Fontenot, Jason

Bioorganic & Medicinal Chemistry Letters, 01 August 2015, Vol.25(15), pp.2991-2997 [Peer Reviewed Journal]

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14
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Structure-based design of low-nanomolar PIM kinase inhibitors

Ishchenko, Alexey ; Zhang, Lin ; Le Brazidec, Jean-Yves ; Fan, Junhua ; Chong, Jer Hong ; Hingway, Aparna ; Raditsis, Annie ; Singh, Latika ; Elenbaas, Brian ; Hong, Victor Sukbong ; Marcotte, Doug ; Silvian, Laura ; Enyedy, Istvan ; Chao, Jianhua

Bioorganic & Medicinal Chemistry Letters, 01 February 2015, Vol.25(3), pp.474-480 [Peer Reviewed Journal]

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15
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3,5-Diarylazoles as novel and selective inhibitors of protein kinase D

Gamber, Gabriel G ; Meredith, Erik ; Zhu, Qingming ; Yan, Wanlin ; Rao, Chang ; Capparelli, Michael ; Burgis, Robin ; Enyedy, Istvan ; Zhang, Ji-Hu ; Soldermann, Nicolas ; Beattie, Kimberley ; Rozhitskaya, Olga ; Koch, Keith A ; Pagratis, Nikos ; Hosagrahara, Vinayak ; Vega, Richard B ; Mckinsey, Timothy A ; Monovich, Lauren

Bioorganic & Medicinal Chemistry Letters, 2011, Vol.21(5), pp.1447-1451 [Peer Reviewed Journal]

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16
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Molecular Modeling, Structure–Activity Relationships and Functional Antagonism Studies of 4-Hydroxy-1-methyl-4-(4-methylphenyl)-3-piperidyl 4-Methylphenyl Ketones as a Novel Class of Dopamine Transporter Inhibitors

Wang, Shaomeng ; Sakamuri, Sukumar ; Enyedy, Istvan J ; Kozikowski, Alan P ; Zaman, Wahiduz A ; Johnson, Kenneth M

Bioorganic & Medicinal Chemistry, 2001, Vol.9(7), pp.1753-1764 [Peer Reviewed Journal]

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17
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Identification of orally available naphthyridine protein kinase D inhibitors

Meredith, Erik L ; Ardayfio, Ophelia ; Beattie, Kimberly ; Dobler, Markus R ; Enyedy, Istvan ; Gaul, Christoph ; Hosagrahara, Vinayak ; Jewell, Charles ; Koch, Keith ; Lee, Wendy ; Lehmann, Hansjoerg ; Mckinsey, Timothy A ; Miranda, Karl ; Pagratis, Nikos ; Pancost, Margaret ; Patnaik, Anup ; Phan, Dillon ; Plato, Craig ; Qian, Ming ; Rajaraman, Vasumathy ; Rao, Chang ; Rozhitskaya, Olga ; Ruppen, Thomas ; Shi, Jie ; Siska, Sarah J ; Springer, Clayton ; Van Eis, Maurice ; Vega, Richard B ; Von Matt, Anette ; Yang, Lihua ; Yoon, Taeyoung ; Zhang, Ji-Hu ; Zhu, Na ; Monovich, Lauren G

Journal of medicinal chemistry, 12 August 2010, Vol.53(15), pp.5400-21 [Peer Reviewed Journal]

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18
Molecular Modeling Studies of the Akt PH Domain and Its Interaction with Phosphoinositides
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Molecular Modeling Studies of the Akt PH Domain and Its Interaction with Phosphoinositides

Rong, Suo-Bao ; Hu, Youhong ; Enyedy, Istvan ; Powis, Garth ; Meuillet, Emmanuelle J. ; Wu, Xiongwu ; Wang, Renxiao ; Wang, Shaomeng ; Kozikowski, Alan P.

Journal of Medicinal Chemistry, 03/2001, Vol.44(6), pp.898-908 [Peer Reviewed Journal]

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19
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Potent PDZ-Domain PICK1 Inhibitors that Modulate Amyloid Beta-Mediated Synaptic Dysfunction

Lin, Edward Y. S ; Silvian, Laura F ; Marcotte, Douglas J ; Banos, Charles C ; Jow, Flora ; Chan, Timothy R ; Arduini, Robert M ; Qian, Fang ; Baker, Darren P ; Bergeron, Chris ; Hession, Catherine A ; Huganir, Richard L ; Borenstein, Cassandra F ; Enyedy, Istvan ; Zou, Jinming ; Rohde, Ellen ; Wittmann, Marion ; Kumaravel, Gnanasambandam ; Rhodes, Kenneth J ; Scannevin, Robert H ; Dunah, Anthone W ; Guckian, Kevin M Argonne National Lab. (Anl), Argonne, Il (United States). Advanced Photon Source (APS) (Corporate Author)

Scientific Reports, 07 September 2018, Vol.8(1) [Peer Reviewed Journal]

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20
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Investigating small molecules to inhibit germinal center kinase-like kinase (GLK/MAP4K3) upstream of PKCθ phosphorylation: Potential therapy to modulate T cell dependent immunity

May-Dracka, Tricia L ; Arduini, Robert ; Bertolotti-Ciarlet, Andrea ; Bhisetti, Govinda ; Brickelmaier, Margot ; Cahir-Mcfarland, Ellen ; Enyedy, Istvan ; Fontenot, Jason D ; Hesson, Thomas ; Little, Kevin ; Lyssikatos, Joe ; Marcotte, Douglas ; Mckee, Timothy ; Murugan, Paramasivam ; Patterson, Thomas ; Peng, Hairuo ; Rushe, Mia ; Silvian, Laura ; Spilker, Kerri ; Wu, Ping ; Xin, Zhili ; Burkly, Linda C

Bioorganic & Medicinal Chemistry Letters, 01 June 2018, Vol.28(10), pp.1964-1971 [Peer Reviewed Journal]

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21
Discovery of Small-Molecule Inhibitors of Bcl-2 through Structure-Based Computer Screening
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Discovery of Small-Molecule Inhibitors of Bcl-2 through Structure-Based Computer Screening

Enyedy, Istvan J. ; Ling, Yan ; Nacro, Kassoum ; Tomita, York ; Wu, Xihan ; Cao, Yeyu ; Guo, Ribo ; Li, Bihua ; Zhu, Xiaofeng ; Huang, Ying ; Long, Ya-Qiu ; Roller, Peter P. ; Yang, Dajun ; Wang, Shaomeng

Journal of Medicinal Chemistry, 12/2001, Vol.44(25), pp.4313-4324 [Peer Reviewed Journal]

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22
Iridals Are a Novel Class of Ligands for Phorbol Ester Receptors with Modest Selectivity for the RasGRP Receptor Subfamily †
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Iridals Are a Novel Class of Ligands for Phorbol Ester Receptors with Modest Selectivity for the RasGRP Receptor Subfamily †

Shao, Lei ; Lewin, Nancy E. ; Lorenzo, Patricia S. ; Hu, Zengjian ; Enyedy, Istvan J. ; Garfield, Susan H. ; Stone, James C. ; Marner, Franz-Josef ; Blumberg, Peter M. ; Wang, Shaomeng

Journal of Medicinal Chemistry, 11/2001, Vol.44(23), pp.3872-3880 [Peer Reviewed Journal]

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23
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Structural basis of RasGRP binding to high-affinity PKC ligands

Rong, Suo-Bao ; Enyedy, Istvan J ; Qiao, Lixin ; Zhao, Lianyun ; Ma, Dawei ; Pearce, Larry L ; Lorenzo, Patricia S ; Stone, James C ; Blumberg, Peter M ; Wang, Shaomeng ; Kozikowski, Alan P

Journal of medicinal chemistry, 14 February 2002, Vol.45(4), pp.853-60 [Peer Reviewed Journal]

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24
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2,3-Disubstituted quinuclidines as a novel class of dopamine transporter inhibitors

Sakamuri, Sukumar ; Enyedy, Istvan J ; Zaman, Wahiduz A ; Tella, Srihari R ; Kozikowski, Alan P ; Flippen-Anderson, Judith L ; Farkas, Tivadar ; Johnson, Kenneth M ; Wang, Shaomeng

Bioorganic & Medicinal Chemistry, 2003, Vol.11(6), pp.1123-1136 [Peer Reviewed Journal]

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25
Discovery of a Novel Dopamine Transporter Inhibitor, 4-Hydroxy-1-methyl-4-(4-methylphenyl)-3-piperidyl 4-Methylphenyl Ketone, as a Potential Cocaine Antagonist through 3D-Database Pharmacophore Searching. Molecular Modeling, Structure−Activity Relationships, and Behavioral Pharmacological Studies
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Discovery of a Novel Dopamine Transporter Inhibitor, 4-Hydroxy-1-methyl-4-(4-methylphenyl)-3-piperidyl 4-Methylphenyl Ketone, as a Potential Cocaine Antagonist through 3D-Database Pharmacophore Searching. Molecular Modeling, Structure−Activity Relationships, and Behavioral Pharmacological Studies

Wang, Shaomeng ; Sakamuri, Sukumar ; Enyedy, Istvan J. ; Kozikowski, Alan P. ; Deschaux, Olivier ; Bandyopadhyay, Bidhan C. ; Tella, Srihari R. ; Zaman, Wahiduz A. ; Johnson, Kenneth M.

Journal of Medicinal Chemistry, 02/2000, Vol.43(3), pp.351-360 [Peer Reviewed Journal]

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26
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Pharmacophore-Based discovery of substituted pyridines as novel dopamine transporter inhibitors

Enyedy, Istvan J ; Sakamuri, Sukumar ; Zaman, Wahiduz A ; Johnson, Kenneth M ; Wang, Shaomeng

Bioorganic & Medicinal Chemistry Letters, 2003, Vol.13(3), pp.513-517 [Peer Reviewed Journal]

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27
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Discovery of substituted 3,4-Diphenyl-thiazoles as a novel class of monoamine transporter inhibitors through 3-D pharmacophore search using a new pharmacophore model derived from mazindol

Enyedy, Istvan J ; Wang, Jiansuo ; Zaman, Wahiduz A ; Johnson, Kenneth M ; Wang, Shaomeng

Bioorganic & Medicinal Chemistry Letters, 2002, Vol.12(13), pp.1775-1778 [Peer Reviewed Journal]

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28
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Pharmacophore-based discovery of 3,4-disubstituted pyrrolidines as a novel class of monoamine transporter inhibitors

Enyedy, Istvan J ; Zaman, Wahiduz A ; Sakamuri, Sukumar ; Kozikowski, Alan P ; Johnson, Kenneth M ; Wang, Shaomeng

Bioorganic & Medicinal Chemistry Letters, 2001, Vol.11(9), pp.1113-1118 [Peer Reviewed Journal]

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29
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Pharmacophore-Based discovery, synthesis, and biological evaluation of 4-phenyl-1-arylalkyl piperidines as dopamine transporter inhibitors

Sakamuri, Sukumar ; Enyedy, Istvan J ; Kozikowski, Alan P ; Zaman, Wahiduz A ; Johnson, Kenneth M ; Wang, Shaomeng

Bioorganic & Medicinal Chemistry Letters, 2001, Vol.11(4), pp.495-500 [Peer Reviewed Journal]

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30
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Identification and biochemical characterization of small-molecule inhibitors of Clostridium botulinum neurotoxin serotype A

Roxas-Duncan, Virginia ; Enyedy, Istvan ; Montgomery, Vicki A ; Eccard, Vanessa S ; Carrington, Marco A ; Lai, Huiguo ; Gul, Nizamettin ; Yang, David C H ; Smith, Leonard A

Antimicrobial agents and chemotherapy, August 2009, Vol.53(8), pp.3478-86 [Peer Reviewed Journal]

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31
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Synthesis and evaluation of the sunflower derived trypsin inhibitor as a potent inhibitor of the type II transmembrane serine protease, matriptase

Long, Ya-Qiu ; Lee, Sheau-Ling ; Lin, Chen-Yong ; Enyedy, Istvan J ; Wang, Shaomeng ; Li, Peng ; Dickson, Robert B ; Roller, Peter P

Bioorganic & Medicinal Chemistry Letters, 2001, Vol.11(18), pp.2515-2519 [Peer Reviewed Journal]

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32
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Synthesis and biological evaluation of 1-azabicyclo-[3.2.1]octanes: new dopamine transporter inhibitors

Tamiz, Amir P ; Smith, Miles P ; Enyedy, Istvan ; Flippen-Anderson, Judith ; Zhang, Mei ; Johnson, Kenneth M ; Kozikowski, Alan P

Bioorganic & Medicinal Chemistry Letters, 2000, Vol.10(15), pp.1681-1686 [Peer Reviewed Journal]

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33
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Substituted aminobenzimidazole pyrimidines as cyclin-dependent kinase inhibitors

Verma, Sharad ; Nagarathnam, Dhanapalan ; Shao, Jianxing ; Zhang, Lei ; Zhao, Jin ; Wang, Yamin ; Li, Tindy ; Mull, Eric ; Enyedy, Istvan ; Wang, Chunguang ; Zhu, Qingming ; Altieri, Martha ; Jordan, Jerold ; Dang, Thu-Thi-Anh ; Reddy, Sanjeeva

Bioorganic & Medicinal Chemistry Letters, 2005, Vol.15(8), pp.1973-1977 [Peer Reviewed Journal]

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34
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SAR of a novel ‘Anthranilamide Like’ series of VEGFR-2, multi protein kinase inhibitors for the treatment of cancer

Wickens, Philip ; Kluender, Harold ; Dixon, Julie ; Brennan, Catherine ; Achebe, Furahi ; Bacchiocchi, Antonella ; Bankston, Don ; Bierer, Donald ; Brands, Michael ; Braun, Debbie ; Brown, Melissa S ; Chuang, Chih-Yuan ; Dumas, Jacques ; Enyedy, Istvan ; Hofilena, Gloria ; Hong, Zhenqiu ; Housley, Tim ; Jones, Benjamin ; Khire, Uday ; Kreiman, Charles ; Kumarasinghe, Ellalahewage ; Lowinger, Timothy ; Ott-Morgan, Ronda ; Perkins, Louise ; Phillips, Barton ; Schoenleber, Robert ; Scott, William J ; Sheeler, Ryan ; Redman, Anikó ; Sun, Xiuying ; Taylor, Ian ; Wang, Lei ; Wilhelm, Scott ; Zhang, Xiaomei ; Zhang, Mingbao ; Sullivan, Elizabeth ; Carter, Christopher ; Miglarese, Mark ; Levy, Joan

Bioorganic & Medicinal Chemistry Letters, 2007, Vol.17(15), pp.4378-4381 [Peer Reviewed Journal]

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35
Identification and Biochemical Characterization of Small-Molecule Inhibitors of Clostridium Botulinum Neurotoxin Serotype A
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Technical Report
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Identification and Biochemical Characterization of Small-Molecule Inhibitors of Clostridium Botulinum Neurotoxin Serotype A

Roxas-Duncan, Virginia ; Enyedy, Istvan ; Montgomery, Vicki A ; Eccard, Vanessa S ; Carrington, Marco A ; Lai, Huiguo ; Gul, Nizamettin ; Yang, David C ; Smith, Leonard A Army Medical Research Inst Of Infectious Diseases Fort Detrick MD (Corporate Author)

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