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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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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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
Published in Bioorganic & medicinal chemistry (15.07.2013)
Published in Bioorganic & medicinal chemistry (15.07.2013)
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Journal Article
Corrigendum to “Identification and experimental confirmation of novel cGMP efflux inhibitors by virtual ligand screening of vardenafil-analogues” [Biomed. Pharmacother. 126 (2020) 110109]
Kashgari, Farzane Kuresh, Ravna, Aina, Sager, Georg, Lyså, Roy, Enyedy, Istvan, Dietrichs, Erik Sveberg
Published in Biomedicine & pharmacotherapy (01.08.2022)
Published in Biomedicine & pharmacotherapy (01.08.2022)
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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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Journal Article
Identification and experimental confirmation of novel cGMP efflux inhibitors by virtual ligand screening of vardenafil-analogues
Kashgari, Farzane Kuresh, Ravna, Aina, Sager, Georg, Lyså, Roy, Enyedy, Istvan, Dietrichs, Erik Sveberg
Published in Biomedicine & pharmacotherapy (01.06.2020)
Published in Biomedicine & pharmacotherapy (01.06.2020)
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Journal Article
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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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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Journal Article
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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Journal Article
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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Journal Article
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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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
Published in Antimicrobial Agents and Chemotherapy (01.08.2009)
Published in Antimicrobial Agents and Chemotherapy (01.08.2009)
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Journal Article
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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Journal Article
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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Journal Article
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
Published in Bioorganic & medicinal chemistry letters (01.08.2007)
Published in Bioorganic & medicinal chemistry letters (01.08.2007)
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