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AI is a viable alternative to high throughput screening: a 318-target study [PDF]
Scientific ReportsHigh throughput screening (HTS) is routinely used to identify bioactive small molecules. This requires physical compounds, which limits coverage of accessible chemical space.Izhar Wallach, Denzil Bernard, Kong Nguyen, Gregory Ho, Adrian Morrison, A. Stecula, Andreana Rosnik, Ann Marie O’Sullivan, Aram Davtyan, Ben Samudio, Bill Thomas, Brad Worley, Brittany Butler, Christian Laggner, D. Thayer, Ehsan Moharreri, Greg Friedland, Ha Truong, Henry van den Bedem, H. Ng, Kate Stafford, Krishna Sarangapani, Kyle Giesler, Lien Ngo, Michael Mysinger, Mostafa Ahmed, Nicholas J Anthis, Niel Henriksen, Pawel Gniewek, Sam Eckert, Saulo Neves de Oliveira, Shabbir Suterwala, Srimukh Veccham Krishna PrasadPrasad, Stefani Shek, S. Contreras, Stephanie Hare, Teresa Palazzo, Terrence E. O’Brien, Tessa Van Grack, Tiffany Williams, T. Chern, Victor Kenyon, Andreia H. Lee, Andrew B. Cann, Bastiaan Bergman, Brandon M. Anderson, Bryan D. Cox, Jeffrey M. Warrington, Jon M. Sorenson, Joshua M. Goldenberg, Matthew A. Young, Nicholas DeHaan, Ryan P. Pemberton, S. Schroedl, Tigran M. Abramyan, Tushita Gupta, Venkatesh Mysore, Adam Presser, Adolfo A. Ferrando, A. Andricopulo, Agnidipta Ghosh, Aicha Gharbi Ayachi, Aisha Mushtaq, Ala M. Shaqra, A. Toh, A. Smrcka, Alberto Ciccia, A. D. de Oliveira, A. Sverzhinsky, A. M. de Sousa, Alexander I. Agoulnik, A. Kushnir, Alexander N. Freiberg, Alexander V. Statsyuk, Alexandre R. Gingras, A. Degterev, A. Tomilov, A. Vrielink, A. Garaeva, A. Bryant-Friedrich, A. Caflisch, Amit K. Patel, A. Rangarajan, A. Matheeussen, Andrea Battistoni, A. Caporali, Andrea Chini, A. Ilari, Andrea Mattevi, Andrea Talbot Foote, A. Trabocchi, A. Stahl, Andrew B. Herr, Andrew Berti, A. Freywald, A. Reidenbach, Andrew Lam, A. Cuddihy, Andrew White, A. Taglialatela, A. Ojha, Ann M. Cathcart, Anna A L Motyl, Anna M Borowska, Anna D’Antuono, Anna K. H. Hirsch, A. Porcelli, Anna Minakova, A. Montanaro, Anna Müller, A. Fiorillo, A. Virtanen, A. O'Donoghue, Antonio Del Rio Flores, A. E. Garmendia, A. Pineda-Lucena, A. Panganiban, A. Samantha, A. Chatterjee, Arthur L. Haas, A. Paparella, Ashley L. St. John, Ashutosh Prince, Assmaa ElSheikh, A. Apfel, Audrey Colomba, Austin O’Dea, B. Diallo, B. M. R. M. Ribeiro, B. Bailey-Elkin, B. Edelman, B. Liou, Benjamin Perry, B. S. Chua, Benjámin Kováts, B. Englinger, B. Balakrishnan, Bin Gong, B. Agianian, Brandon Pressly, Brenda P. Medellin Salas, Brendan M. Duggan, B. Geisbrecht, B. Dymock, B. Morten, B. Hammock, B. E. Mota, Bryan C. Dickinson, Cameron Fraser, Camille Lempicki, C. Novina, C. Torner, Carlo Ballatore, Carlotta Bon, Carly J. Chapman, C. Partch, Catherine T. Chaton, Chang Huang, Chao-Yie Yang, Charlene M. Kahler, Charles Karan, Charles Keller, C. Dieck, Huimei Chen, Chen Liu, C. Peltier, C. Mantri, Chinyere Kemet, Christa E. Müller, Christian Weber, Christina M. Zeina, Christine S. Muli, C. Morisseau, Cigdem Alkan, Clara Reglero, Cody A. Loy, Cornelia M. Wilson, Courtney B. Myhr, Cristina Arrigoni, Cristina Paulino, César Santiago, Da-Hai Luo, D. Tumes, D. Keedy, Daniel A. Lawrence, Daniel Chen, Danny Manor, Darci J. Trader, David A Hildeman, D. Drewry, David J. Dowling, D. Hosfield, David M. Smith, David Moreira, D. Siderovski, David Shum, David T. Krist, David W. H. Riches, D. Ferraris, Deborah H. Anderson, D. R. Coombe, Derek S. Welsbie, D. Hu, Diana Ortiz, Dina Alramadhani, Dingqiang Zhang, Dipayan Chaudhuri, Dirk Jan Slotboom, D. Ronning, Donghan Lee, Dorian Dirksen, Douglas A. Shoue, D. Zochodne, D. Krishnamurthy, Dustin Duncan, Dylan M Glubb, E. Gelardi, Edward C. Hsiao, E. Lynn, Elany Barbosa da Silva, Elena Aguilera, E. Lenci, Elena Abraham, Eleonora Lama, Eleonora Mameli, Elisa Leung, Emily M. Christensen, Emily R. Mason, Enrico Petretto, Ephraim F. Trakhtenberg, Eric J. Rubin, Erick Strauss, Erik W. Thompson, E. Cione, E. Lisabeth, E. Fan, E. Kroon, Eunji Jo, E. García-Cuesta, Evgenia Glukhov, E. Gavathiotis, Fang Yu, Fei Xiang, Fen-Fei Leng, Feng Wang, Filippo Ingoglia, F. van den Akker, Francesco Borriello, F. Vizeacoumar, F. Luh, Frederick S. Buckner, F. Vizeacoumar, F. B. Bdira, Fredrik Svensson, G. M. Rodriguez, Gabriella Bognár, Gaia Lembo, Gang Zhang, Garret E. Dempsey, Gary Eitzen, G. Mayer, Geoffrey L. Greene, George A. Garcia, G. Lukács, Gergely Prikler, G. C. G. Parico, G. Colotti, G. D. De Keulenaer, G. Cortopassi, G. Roti, Giulia Girolimetti, G. Fiermonte, G. Gasparre, G. Leuzzi, Gopal Dahal, G. Michlewski, G. Conn, Grant David Stuchbury, Gregory R. Bowman, G. Popowicz, G. Veit, G. D. de Souza, Gustav Akk, G. Caljon, Guzmán Alvarez, Gwennan Rucinski, Gyeongeun Lee, Gökhan Cildir, Hai Li, Hairol E. Breton, Hamed Jafar-Nejad, Han Zhou, Hannah P. Moore, Hannah Tilford, Haynes Yuan, Heesung Shim, Heike Wulff, Heinrich Hoppe, Helena Chaytow, Heng-Keat Tam, H. Van Remmen, Hongyang Xu, H. Debonsi, Howard B. Lieberman, Hoyoung Jung, Hua-Ying Fan, Hui Feng, Hui Zhou, H. Kim, Iain R Greig, Ileana Caliandro, Ileana Corvo, I. Arozarena, Imran N. Mungrue, I. Verhamme, I. Qureshi, Irina Lotsaris, I. Çakır, J. Perry, Jacek Kwiatkowski, J. Boorman, Jacob Ferreira, Jacob Fries, J. M. Kratz, Jaden Miner, Jair L. Siqueira-Neto, James G. Granneman, James Ng, J. Shorter, J. Voss, J. Gebauer, Janelle J Y Chuah, J. Mousa, Jason T. Maynes, Jay D. Evans, J. Dickhout, J. MacKeigan, J. Jossart, Jia Zhou, Jia-Bei Lin, Jiake Xu, Jianghai Wang, Jiaqi Zhu, Jiayu Liao, Jingyi Xu, Jinshi Zhao, Jiusheng Lin, Jiyoun Lee, J. Reis, J. Stetefeld, J. B. Bruning, J. B. Bruning, John G. Coles, John J. Tanner, John M. Pascal, Jonathan So, J. L. Pederick, J. Costoya, Joseph B. Rayman, J. Maciag, J. Nasburg, Joshua J Gruber, Joshua M. Finkelstein, Joshua Watkins, J. Rodríguez-Frade, Juan Antonio Sanchez Arias, J. Lasarte, J. Oyarzábal, Julian Milosavljevic, J. Cools, Julien Lescar, Julijus Bogomolovas, Jun Wang, Jung-Min Kee, Jun-Zhuo Liao, Jyothi C. Sistla, J. Abrahão, Kamakshi L Sishtla, Karol R. Francisco, Kasper B. Hansen, Kathleen A. Molyneaux, Kathryn A. Cunningham, Katie R. Martin, K. Gadar, K. Ojo, Keith S. Wong, Kelly L. Wentworth, Kent Lai, K. Lobb, K. M. Hopkins, K. Parang, K. Machaca, Kien Pham, Kim Ghilarducci, K. Sugamori, K. J. McManus, Kirsikka Musta, K. Faller, Kiyonobu Nagamori, Konrad J Mostert, Konstantin V. Korotkov, Koting Liu, Kristiana S. Smith, K. Sarosiek, Kyle H. Rohde, Kyu Kwang Kim, Kyung Hyeon Lee, Lajos Pusztai, L. Lehtiö, Larisa M. Haupt, L. Cowen, Lee J. Byrne, Lei-La Su, León Wert-Lamas, L. Puchades-Carrasco, Lifeng Chen, L. Malkas, Ling Zhuo, Lizbeth Hedstrom, L. Walensky, Lorenzo Antonelli, L. Iommarini, Luke Whitesell, Lía M. Randall, M. Fathallah, M. Nagai, M. Kilkenny, Manu Ben-Johny, Marc P. Lussier, Marc P. Windisch, Marco Lolicato, M. Lolli, M. Vleminckx, M. Caroleo, Maria J. Macias, M. Valli, Marim M. Barghash, M. Mellado, M. Tye, M. A. Wilson, Mark Hannink, Mark R. Ashton, M. V. C. Cerna, M. Giorgis, M. Safo, Martin St. Maurice, M. McDowell, M. Pasquali, M. Mehedi, M. Serafim, M. Soellner, M. Alteen, M. M. Champion, M. Skorodinsky, M. O'Mara, Mel Bedi, M. Rizzi, Michael Levin, Michael Mowat, Michael R. Jackson, M. Paige, Minnatallah Al-Yozbaki, M. Giardini, M. Maksimainen, Monica De Luise, Muhammad Saddam Hussain, M. Christodoulides, Natalia Stec, N. Zelinskaya, N. Van Pelt, Nathan M. Merrill, Nathanael I. Singh, N. Kootstra, Neeraj Singh, Neha S Gandhi, Nei-Li Chan, Nguyen Mai Trinh, Nicholas O. Schneider, Nick Matovic, N. Horstmann, N. Longo, N. Bharambe, Nirvan Rouzbeh, N. Mahmoodi, N. Gumede, N. Anastasio, N. Khalaf, O. Rabal, Olga Kandror, Olivier Escaffre, O. Silvennoinen, Ozlem Tastan Bishop, Pablo Iglesias, P. Sobrado, Patrick Chuong, Patrick O'Connell, P. Martin-Malpartida, P. Mellor, P. Fish, P. O. L. Moreira +499 moresemanticscholar +2 more sourcesInterplay between transforming growth factor-β and Nur77 in dual regulations of inhibitor of differentiation 1 for colonic tumorigenesis
Nature Communications, 2021 Inhibitor of Differentiation 1 (ID1) is an oncogene for colorectal cancer. Here, the authors show a complex interplay between nuclear receptor Nur77 and Transforming Growth Factor-β (TGFβ) to regulate ID1 expression at both transcriptional and post ...Boning Niu, Jie Liu, Ben Lv, Jiacheng Lin, Xin Li, Chunxiao Wu, Xiaohua Jiang, Zhiping Zeng, Xiao-kun Zhang, Hu Zhou +9 moredoaj +1 more sourceTumor immunological phenotype signature-based high-throughput screening for the discovery of combination immunotherapy compounds
Science Advances, 2021 A high-throughput screening approach enables the discovery of tumor immune microenvironment modulator and immunotherapy booster. Combination immunotherapy is promising to overcome the limited objective response rates of immune checkpoint blockade (ICB ...Hai-Yan Wang, Shasha Li, Qian-Yu Wang, Zhengshuo Jin, W. Shao, Yan Gao, Lu Li, Kequan Lin, Lin Zhu, Huili Wang, Xuebin Liao, Dong Wang +11 moresemanticscholar +1 more source
