Not logged inDiscovery and development of novel CNS-penetrating PARP1-selective inhibitors
Bacha, Jeffrey; Truong, Sarah; Ban, Fuqiang; Smith, Jason; Pandey, Mohit; Manskaia, Ekaterina; Zhai, Beibei; Ramos, Louise; Marzban, Mona; Ghaidi, Fariba; Adomat, Hans; Singh, Kally; Chen, Xiaoqi; Brown, Dennis; Langlands, John; Collins, Colin; Cherkasov, Artem; Daugaard, Mads .png)
Share.png)
SaveActive Learning-Guided Hit Optimization for the Leucine-Rich Repeat Kinase 2 WDR Domain Based on In Silico Ligand-Binding AffinitiesGusev, Filipp; Gutkin, Evgeny; Gentile, Francesco; Ban, Fuqiang; Koby, S. Benjamin; Li, Fengling; Chau, Irene; Ackloo, Suzanne; Arrowsmith, Cheryl H.; Bolotokova, Albina; Ghiabi, Pegah; Gibson, Elisa; Halabelian, Levon; Houliston, Scott; Harding, Rachel J.; Hutchinson, Ashley; Loppnau, Peter; Perveen, Sumera; Seitova, Almagul; Zeng, Hong; Schapira, Matthieu; Isayev, Olexandr; Kurnikova, Maria G. Share Save Characterization of novel small molecule inhibitors of estrogen receptor-activation function 2 (ER-AF2)Foo, Jane; Gentile, Francesco; Massah, Shabnam; Morin, Helene; Singh, Kriti; Lee, Joseph; Smith, Jason; Ban, Fuqiang; Leblanc, Eric; Young, Robert; Strynadka, Natalie; Lallous, Nada; Cherkasov, Artem Share Save UTILIZING DEEP DOCKING AND ARTIFICIAL INTELLIGENCE FOR THE DISCOVERY OF NOVEL PARP1-SELECTIVE INHIBITORS FOR USE AGAINST BRAIN TUMORSTruong, Sarah; Ban, Fuqiang; Smith, Jason; Zhai, Beibei; Ramos, Louise; Marzban, Mona; Ghaidi, Fariba; Adomat, Hans; Chen, Xiaoqi; Langlands, John; Brown, Dennis; Bacha, Jeffrey; Collins, Colin; Cherkasov, Artem; Daugaard, Mads Share Save CACHE Challenge #1: Targeting the WDR Domain of LRRK2, A Parkinson's Disease Associated ProteinLi, Fengling; Ackloo, Suzanne; Arrowsmith, Cheryl H.; Ban, Fuqiang; Barden, Christopher J.; Beck, Hartmut; Beranek, Jan; Berenger, Francois; Bolotokova, Albina; Bret, Guillaume; Breznik, Marko; Carosati, Emanuele; Chau, Irene; Chen, Yu; Cherkasov, Artem; Della Corte, Dennis; Denzinger, Katrin; Dong, Aiping; Draga, Sorin; Dunn, Ian; Edfeldt, Kristina; Edwards, Aled; Eguida, Merveille; Eisenhuth, Paul; Friedrich, Lukas; Fuerll, Alexander; Gardiner, Spencer S.; Gentile, Francesco; Ghiabi, Pegah; Gibson, Elisa; Glavatskikh, Marta; Gorgulla, Christoph; Guenther, Judith; Gunnarsson, Anders; Gusev, Filipp; Gutkin, Evgeny; Halabelian, Levon; Harding, Rachel J.; Hillisch, Alexander; Hoffer, Laurent; Hogner, Anders; Houliston, Scott; Irwin, John J.; Isayev, Olexandr; Ivanova, Aleksandra; Jacquemard, Celien; Jarrett, Austin J.; Jensen, Jan H.; Kireev, Dmitri; Kleber, Julian; Koby, S. Benjamin; Koes, David; Kumar, Ashutosh; Kurnikova, Maria G.; Kutlushina, Alina; Lessel, Uta; Liessmann, Fabian; Liu, Sijie; Lu, Wei; Meiler, Jens; Mettu, Akhila; Minibaeva, Guzel; Moretti, Rocco; Morris, Connor J.; Narangoda, Chamali; Noonan, Theresa; Obendorf, Leon; Pach, Szymon; Pandit, Amit; Perveen, Sumera; Poda, Gennady; Polishchuk, Pavel; Puls, Kristina; Puetter, Vera; Rognan, Didier; Roskams-Edris, Dylan; Schindler, Christina; Sindt, Francois; Spiwok, Vojtech; Steinmann, Casper; Stevens, Rick L.; Talagayev, Valerij; Tingey, Damon; Vu, Oanh; Walters, W. Patrick; Wang, Xiaowen; Wang, Zhenyu; Wolber, Gerhard; Wolf, Clemens Alexander; Wortmann, Lars; Zeng, Hong; Zepeda, Carlos A.; Zhang, Kam Y. J.; Zhang, Jixian; Zheng, Shuangjia; Schapira, Matthieu Share Save Share Save Share Save A novel class of broad-spectrum active-site-directed 3C-like protease inhibitors with nanomolar antiviral activity against highly immune-evasive SARS-CoV-2 Omicron subvariantsPerez-Vargas, Jimena; Worrall, Liam J.; Olmstead, Andrea D.; Ton, Anh-Tien; Lee, Jaeyong; Villanueva, Ivan; Thompson, Connor A. H.; Dudek, Svenja; Ennis, Siobhan; Smith, Jason R.; Shapira, Tirosh; De Guzman, Joshua; Gang, Shutong; Ban, Fuqiang; Vuckovic, Marija; Bielecki, Michael; Kovacic, Suzana; Kenward, Calem; Hong, Christopher Yee; Gordon, Danielle G.; Levett, Paul N.; Krajden, Mel; Leduc, Richard; Boudreault, Pierre-Luc; Niikura, Masahiro; Paetzel, Mark; Young, Robert N.; Cherkasov, Artem; Strynadka, Natalie C. J.; Jean, Francois Share Save Characterization of ER-AF2 inhibitors in breast cancerFoo, Jane; Gentile, Francesco; Lee, Joseph; Morin, Helene; Massah, Shabnam; Guo, Maria; Smith, Jason; Ban, Fuqiang; Cherkasov, Artem; Lallous, Nada Share Save Large-Scale Virtual Screening for the Discovery of SARS-CoV-2 Papain-like Protease (PLpro) Non-covalent InhibitorsGarland, Olivia; Ton, Anh-Tien; Moradi, Shoeib; Smith, Jason R.; Kovacic, Suzana; Ng, Kurtis; Pandey, Mohit; Ban, Fuqiang; Lee, Jaeyong; Vuckovic, Marija; Worrall, Liam J.; Young, Robert N.; Pantophlet, Ralph; Strynadka, Natalie C. J.; Cherkasov, Artem Share Save Share Save Structure-Based Study to Overcome Cross-Reactivity of Novel Androgen Receptor InhibitorsRadaeva, Mariia; Li, Huifang; LeBlanc, Eric; Dalal, Kush; Ban, Fuqiang; Ciesielski, Fabrice; Chow, Bonny; Morin, Helene; Awrey, Shannon; Singh, Kriti; Rennie, Paul S.; Lallous, Nada; Cherkasov, Artem Share Save Share Save Share Save Development of 2-(5,6,7-Trifluoro-1H-Indol-3-yl)-quinoline-5-carboxamide as a Potent, Selective, and Orally Available Inhibitor of Human Androgen Receptor Targeting Its Binding Function-3 for the Treatment of Castration-Resistant Prostate CancerLeblanc, Eric; Ban, Fuqiang; Cavga, Ayse Derya; Lawn, Sam; Huang, Chia-Chi Flora; Mohan, Sankar; Chang, Matthew E. K.; Flory, Mark R.; Ghaidi, Fariba; Lingadahalli, Shreyas; Chen, Gang; Yu, Ivan Pak Lok; Morin, Helene; Lallous, Nada; Gleave, Martin E.; Mohammed, Hisham; Young, Robert N.; Rennie, Paul S.; Lack, Nathan A.; Cherkasov, Artem Share Save Discovery of New Catalytic Topoisomerase II Inhibitors for Anticancer TherapeuticsMatias-Barrios, Victor M.; Radaeva, Mariia; Song, Yi; Alperstein, Zaccary; Lee, Ahn R.; Schmitt, Veronika; Lee, Joseph; Ban, Fuqiang; Xie, Ning; Qi, Jianfei; Lallous, Nada; Gleave, Martin E.; Cherkasov, Artem; Dong, Xuesen Share Save Automated discovery of noncovalent inhibitors of SARS-CoV-2 main protease by consensus Deep Docking of 40 billion small moleculesGentile, Francesco; Fernandez, Michael; Ban, Fuqiang; Ton, Anh-Tien; Mslati, Hazem; Perez, Carl F.; Leblanc, Eric; Yaacoub, Jean Charle; Gleave, James; Stern, Abraham; Wong, Bill; Jean, Francois; Strynadka, Natalie; Cherkasov, Artem Share Save Crystallographic structure of wild-type SARS-CoV-2 main protease acyl-enzyme intermediate with physiological C-terminal autoprocessing siteLee, Jaeyong; Worrall, Liam J.; Vuckovic, Marija; Rosell, Federico I.; Gentile, Francesco; Ton, Anh-Tien; Caveney, Nathanael A.; Ban, Fuqiang; Cherkasov, Artem; Paetzel, Mark; Strynadka, Natalie C. J. Share Save Bioanalytical Assay Development and Validation for the Pharmacokinetic Study of GMC1, a Novel FKBP52 Co-chaperone Inhibitor for Castration Resistant Prostate CancerEkpenyong, Oscar; Cooper, Candace; Ma, Jing; Guy, Naihsuan C.; Payan, Ashley N.; Ban, Fuqiang; Cherkasov, Artem; Cox, Marc B.; Liang, Dong; Xie, Huan Share Save Share Save 
.png){kind=icon}
.png){kind=icon}
.png){kind=icon}
.png){kind=icon}
.png){kind=icon}