Cernak, Tim - University of Michigan - Department of Medicinal Chemistry

个人简介

Education & Experience Assistant Professor of Medicinal Chemistry, University of Michigan, Ann Arbor, MI. 2018–Present Co-Founder and Chief Scientific Officer, Iambic Therapeutics, La Jolla, CA. 2021–2022 Merck Research Labs, Rahway, NJ & Boston, MA. 2009–2018 Post-Doctoral Fellow, with Tristan Lambert, Columbia University, New York, NY. 2007–2009 Doctor of Philosophy, with Jim Gleason, McGill University, Montréal, QC. 2002–2007 Bachelor of Science (Chemistry) University of British Columbia Okanagan, Kelowna, BC. 1998–2002 Scientific Advisory Roles Editorial Advisory Board, Organic Letters, Washington, DC. 2023–Present Chemistry Advisory Board, Scorpion Therapeutics, Boston, MA. 2020–2021 Advisory Board, Open Reaction Database Initiative by Google, Menlo Park, CA. 2020–Present Scientific Advisory Committee, Drug Discovery Unit, Dundee, UK. 2020–Present Scientific Advisory Board, NSF Center in Selective C-H Functionalization (CCHF), Atlanta, GA. 2012–2018 Awards 2023 Alfred P. Sloan Fellow 2022 Schmidt Futures Innovation Fellow 2022 National Science Foundation CAREER Award 2021 ACS Petroleum Research Foundation Outstanding Reviewer Award 2019 National Institute of Health NCATS ASPIRE Design Challenge Award 2017 Merck Excellence Award 2016 Merck Green Chemistry Award 2014 Merck Rahway Innovation Award 2014 Merck Process Chemistry – Scientific Risk-Taking Award 2013 Merck K15 Building Design Award 2013 Merck Medicinal Chemistry – Green Chemistry Award 2012 Terry D. Wilson Lectureship, University of Idaho 2010 Merck Excellence Award 2008-2009 FQRNT Postdoctoral Fellowship (Columbia University) 2007 McGill Interdisciplinary Graduate Student Research Symposium Presentation Award 2006-2007 McGill Graduate Studies Fellowship 2006-2007 FQRNT Predoctoral Fellowship (McGill University) 2006 Ocean Nutrition Canada Prize 2006 Robert Zamboni Award 2005 McGill Alma Mater Travel Grant 2004 McGill Alma Mater Travel Grant 2002 Okanagan University College Undergraduate Research Award 2001 Okanagan University College Dean’s List 2001 NSERC Undergraduate Student Research Award

研究领域

The Cernak Lab studies the interface of chemical synthesis and computer science. A small molecule’s structure encodes its function, so synthetic strategies that access diverse molecular structures are paramount to the invention of novel functional molecules such as dyes, agrichemicals, fragrances or pharmaceuticals. We use algorithms, robotics and data science to study new chemical reactions, synthetic routes to natural products, and biochemical probes. Our lab employs informatics to problems in reaction discovery, total synthesis, cell imaging, climate change and medicinal chemistry. By studying the relationship of chemical synthesis to functional properties, we pursue the opportunity to positively impact human and environmental health.

近期论文

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Tesko Chaganti, Chun-Yi Tsai, Yu-Pu Juang, Mohamed Abdelalim, and Tim Cernak. Medicinal Chemistry Gone Wild. Journal of Medicinal Chemistry, 2024, 67 (9), 6899–6905. De-Hai Liu, Philipp M. Pflüger, Andrew Outlaw, Lukas Lückemeier, Fuhao Zhang, Clinton Regan, Hamid Rashidi Nodeh, Tim Cernak, Jiajia Ma, and Frank Glorius. Late-Stage Saturation of Drug Molecules. Journal of the American Chemical Society. 2024, 146 (17), 11866–11875. Andrew McGrath, Haiyan Huang, Jean-Francois Brazeau, Zirong Zhang, Nadeem A. Vellore, Lu Zhu, Zhicai Shi, Jennifer D. Venable, Christine Gelin, Tim Cernak. Diverse Amine-Acid Coupling Reactions Modulate the Potency of BRD4 PROTACs. ChemRxiv, 2023. [preprint] Rui Zhang, Babak Mahjour, Andrew Outlaw, Andrew McGrath, Tim Hopper, Brian Kelley, W. Patrick Walters, Tim Cernak. Exploring the Combinatorial Explosion of Amine–Acid Reaction Space via Graph Editing. Communications Chemistry 2024, 7, 22. [preprint] Babak Mahjour, Andrew McGrath, Andrew Outlaw, Ruheng Zhao, Charles Zhang, Tim Cernak. Interactive Python Notebook Modules for Chemoinformatics in Medicinal Chemistry. Journal of Chemical Education 2023, ASAP Babak Mahjour, Jillian Hoffstadt, Tim Cernak. Designing Chemical Reaction Arrays using phactor and ChatGPT. Organic Process Research & Development 2023, 27, 1510–1516 [preprint] Babak Mahjour, Rui Zhang, Yuning Shen, Andrew McGrath, Ruheng Zhao, Osama G. Mohamed, Yingfu Lin, Zirong Zhang, James L. Douthwaite, Ashootosh Tripathi, Tim Cernak. Rapid Planning and Analysis of High-Throughput Experiment Arrays for Reaction Discovery. Nature Communications 2023, 14 (3924) [preprint1] [preprint2] Nathan Gesmundo, Kevin Dykstra, James Douthwaite, Yu-Ting Kao, Ruheng Zhao, Babak Mahjour, Ron Ferguson, Spencer Dreher, Berengere Sauvagnat, Josep Sauri, Tim Cernak. Miniaturization of Popular Reactions from the Medicinal Chemists’ Toolbox for Ultrahigh-Throughput Experimentation. Nature Synthesis. 2023 [preprint] Eunjae Shim, Ambuj Tewari, Tim Cernak, Paul Zimmerman. Machine Learning Strategies for Reaction Development Toward the Low-Data Limit. Journal of Chemical Information and Modeling. 2023, 63 (12) 3659–3668 James L. Douthwaite, Ruheng Zhao, Eunjae Shim, Babak Mahjour, Paul Zimmerman, Tim Cernak. The Formal Cross-Coupling of Amines and Carboxylic Acids to Form sp3–sp2 Carbon–Carbon Bonds. Journal of the American Chemical Society. 2023, 145 (20), 10930–10937 [preprint] Yingfu Lin, Rui Zhang, Di Wang, and Tim Cernak. Computer-aided key step generation in alkaloid total synthesis. Science 2023, 379(6631), 453–457. Babak Mahjour, Jordan Bench, Rui Zhang, Jared Frazier, Tim Cernak. Molecular Sonification for Molecule to Music Information Transfer. Digital Discovery 2023, 2, 520–530 [preprint] – Listen Here: [Vitamin B12] [Taxol] – Try converting molecules into music with SAMPLES [here]. Andrew McGrath, Rui Zhang, Khadija Shafiq, Tim Cernak. Repurposing amine and carboxylic acid building blocks with an automatable esterification reaction. Chemical Communications 2023, 59, 1026–1029. [preprint] Yuning Shen, Babak Mahjour, Tim Cernak. Development of copper-catalyzed deaminative esterification using high-throughput experimentation. Communications Chemistry 2022, 5(83). Eunjae Shim, Joshua A. Kammeraad, Ziping Xu, Ambuj Tewari, Tim Cernak, Paul M Zimmerman. Predicting reaction conditions from limited data through active transfer learning. Chemical Science. 2022, 13, 6655–6668. Yingfu Lin†, Zirong Zhang†, Babak Mahjour, Di Wang, Rui Zhang, Eunjae Shim, Andrew McGrath, Yuning Shen, Nadia Brugger, Rachel Turnbull, Shashi Jasty, Sarah Trice, Tim Cernak* “Reinforcing the Supply Chain of COVID-19 Therapeutics with Expert-Coded … Yingfu Lin, Zirong Zhang, Babak Mahjour, Di Wang, Rui Zhang, Eunjae Shim, Andrew McGrath, Yuning Shen, Nadia Brugger, Rachel Turnbull, Shashi Jasty, Sarah Trice, Tim Cernak. Reinforcing the Supply Chain of Umifenovir and Other Antiviral Drugs with Retrosynthetic Software. Nature Communications 2021, 12, 7237. Zirong Zhang and Tim Cernak. The Formal Cross-Coupling of Amines and Carboxylic Acids to Form sp3–sp3 Carbon–Carbon Bonds. Angewandte Chemie International Edition. 2021, 60(52), 27293–27298. Babak Mahjour, Yuning Shen, Tim Cernak. Ultrahigh-Throughput Experimentation for Information-Rich Chemical Synthesis. Acc. Chem. Res., 2021. Babak Mahjour, Yuning Shen, Tim Cernak. Ultrahigh-Throughput Experimentation for Information-Rich Chemical Synthesis. Accounts of Chemical Research 2021, 54(10), 2337–2346. Yuning Shen, Julia E. Borowski, Melissa A. Hardy, Richmond Sarpong, Abigail G. Doyle, Tim Cernak. Automation and computer-assisted planning for chemical synthesis. Nat Rev Methods Primers 1, 23 (2021). Yuning Shen, Julia E. Borowski, Melissa A. Hardy, Richmond Sarpong, Abigail G. Doyle, Tim Cernak. Automation and computer-assisted planning for chemical synthesis. Nature Reviews Methods Primers 2021, 1(23). Babak Mahjour, Yuning Shen, Wenbo Liu, and Tim Cernak*. “A map of the amine-carboxylic acid coupling system”, Nature, 2020, 580, 71–75. Babak Mahjour, Yuning Shen, Wenbo Liu, and Tim Cernak. A map of the amine-carboxylic acid coupling system. Nature 2020, 580, 71–75. Kun Liu, Ravi Kurukulasuriya, Kevin Dykstra, Lisa DiMichelle, Jinchu Liu, Petr Vachal, Anthony Ogawa, Robert J. DeVIta, Dong-Ming Shen, QIang Tan, Yili Chen, Don Gauthier, Andreas Verras, Alejandro Crespo, Beata Zamlynny, Jeffrey Madwed, Maarten Hoek, Thomas Bateman, Yun-Fang Yang, K.N. Houk, Tim Cernak. Development of Indazole Mineralocorticoid REceptor Antagonists and Investigation Into Their Selective Late-Stage Functionalization. Bioorganic & Medicinal Chemistry Letters 2019, 29(14) 1854–1858. Mycah R. Uehling, Ryan P. King, Shane W. Krska, Tim Cernak* and Stephen L. Buchwald*. “Pharmaceutical Diversification via Palladium Oxidative Addition Complexes”, Science, 2019, 363, 405—408. Mycah R. Uehling, Ryan P. King, Shane W. Krska, Tim Cernak and Stephen L. Buchwald. Pharmaceutical Diversification via Palladium Oxidative Addition Complexes. Science, 2019, 363, 405–408.