Use of Solvent Mapping for Characterizing the Binding Site and for Predicting the Inhibition of the Human Ether-á-Go-Go-Related K+ Channel
Ma, Shifan, Sun, Zhuyezi, Jing, Yankang, McGann, Mark, Vajda, Sandor, Enyedy, Istvan J.
Published in Chemical research in toxicology (15.08.2022)
Published in Chemical research in toxicology (15.08.2022)
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Can we use docking and scoring for hit-to-lead optimization?
Enyedy, Istvan J., Egan, William J.
Published in Journal of computer-aided molecular design (01.03.2008)
Published in Journal of computer-aided molecular design (01.03.2008)
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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
Published in Journal of medicinal chemistry (13.09.2012)
Published in Journal of medicinal chemistry (13.09.2012)
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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
Published in Journal of medicinal chemistry (06.12.2001)
Published in Journal of medicinal chemistry (06.12.2001)
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The influence of calculated physicochemical properties of compounds on their ADMET profiles
Ma, Shifan, McGann, Mark, Enyedy, Istvan J.
Published in Bioorganic & medicinal chemistry letters (15.03.2021)
Published in Bioorganic & medicinal chemistry letters (15.03.2021)
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Journal Article
Human PLD structures enable drug design and characterization of isoenzyme selectivity
Metrick, Claire M., Peterson, Emily A., Santoro, Joseph C., Enyedy, Istvan J., Murugan, Paramasivam, Chen, TeYu, Michelsen, Klaus, Cullivan, Michael, Spilker, Kerri A., Kumar, P. Rajesh, May-Dracka, Tricia L., Chodaparambil, Jayanth V.
Published in Nature chemical biology (01.04.2020)
Published in Nature chemical biology (01.04.2020)
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In silico prediction of hERG inhibition
Jing, Yankang, Easter, Alison, Peters, David, Kim, Norman, Enyedy, Istvan J
Published in Future medicinal chemistry (01.01.2015)
Published in Future medicinal chemistry (01.01.2015)
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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.
Published in Bioorganic & medicinal chemistry letters (15.05.2016)
Published in Bioorganic & medicinal chemistry letters (15.05.2016)
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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
Published in Bioorganic & medicinal chemistry letters (07.05.2001)
Published in Bioorganic & medicinal chemistry letters (07.05.2001)
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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
Published in Journal of medicinal chemistry (24.05.2001)
Published in Journal of medicinal chemistry (24.05.2001)
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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
Published in Bioorganic & medicinal chemistry letters (17.09.2001)
Published in Bioorganic & medicinal chemistry letters (17.09.2001)
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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
Published in Journal of medicinal chemistry (10.02.2000)
Published in Journal of medicinal chemistry (10.02.2000)
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Journal Article
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
Published in Journal of medicinal chemistry (08.11.2001)
Published in Journal of medicinal chemistry (08.11.2001)
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Journal Article
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
Published in Journal of medicinal chemistry (14.02.2002)
Published in Journal of medicinal chemistry (14.02.2002)
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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
Published in Bioorganic & medicinal chemistry letters (26.02.2001)
Published in Bioorganic & medicinal chemistry letters (26.02.2001)
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