NAME: Nguyen, Toan B. eRA COMMONS USER NAME (credential, e.g., agency login): Toan_Nguyen POSITION TITLE: Computational Chemistry EDUCATION/TRAINING (Begin with baccalaureate or other initial professional education, such as nursing, include postdoctoral training and residency training if applicable. Add/delete rows as necessary.) INSTITUTION AND LOCATION DEGREE (if applicable) Completion Date MM/YYYY FIELD OF STUDY Southwest Missouri State University, Springfield, MO. B.S. 07/1983 Chemistry/Mathematics/Biology Purdue University, Indianapolis & West Lafayette, IN. M.S. 12/1986 Synthetic Organic Chemistry Yale University, New Haven, CT. Ph.D. 05/1993 Computational Chemistry Washington University, St. Louis, MO. Post-Doctoral Fellow 07/1994 Computational Chemistry Boehringer Ingelheim, Ridgefield, CT. Post-Doctoral Fellow 07/1996 Applied Computational Chemistry Personal Statement I am a computational chemist with extensive experience in drug discovery across multiple therapeutic areas including inflammation, anti-infectives, CNS disorders, and oncology. At AstraZeneca, I led cross-functional teams in Fragment-Based Lead Generation (FBLG) discovery projects, managed DNA-encoded library profiling initiatives, and collaborated with Chemical Biology and academic partners on antibody rescue, biologics design, and E3 ubiquitin ligase projects. My drug discovery portfolio spans diverse target families (YAP-TEAD, RAC1, BTK, TLRs, GPCRs, ion channels, kinases) using both covalent and non-covalent approaches. My technical expertise encompasses molecular dynamics simulations of DNA/RNA-protein complexes, structure-based and ligand-based drug design, homology modeling, de novo compound design, QSAR/machine learning for activity prediction, 3D pharmacophore modeling, virtual screening, and enterprise cheminformatics. I have managed specialized technology startups and directed CRO partnerships for lead generation, while evaluating and recommending new computational technologies for acquisition. My leadership experience includes program management, cross-functional team leadership, and technology assessment across pharmaceutical R&D environments. During the proposed project period I will computationally support the drug discovery efforts. B. Positions, Scientific Appointments, and Honors Positions and Scientific Appointments 2025-Present Consultant, Computaional Chemistry, Zola Therapeutics Inc, Cambridge, MA 2022-2025 Director, Computational Chemistry & Informatics, Bridge Biotherapeutics, Newton, MA 2019-2022 Consultant, Interline Therapeutics, South San Francisco, CA. atai Life Sciences AG, c/o Mindspace, Krausenstraße 9-10, 10117 Berlin, Germany. ImmunoMolecular Therapeutics, INC., Aurora, CO & Woburn, MA. Tempest Therapeutics, Inc., South San Francisco, CA. Atheneum Partners International, Torstrasse, Berlin & London, UK. Alphasights – The World’s Knowledge Partner, London, UK 2018-2019 Chief Executive Officer, FUVI Cognitive Network Corporation, Framingham, MA 2016-2018 Consultant, Computational Chemistry, Research Triangle Institute International, Research Triangle Park, NC. Microbiotix, Inc., Worcester, MA. DebioPharm, 1920 Martigny, Switzerland. Janus Biotherapeutics, Wellesley, MA 2013-2016 Principal Scientist, AstraZeneca, Waltham, MA 2009-2013 Staff Research Scientist, Lawrence Livermore National Laboratory, Livermore, CA 2004-2008 Senior Research Fellow, Head of Molecular Modeling & Informatics, Coley Pharmaceutical Group, Wellsley, MA 1999-2004 Principal Investigator, ArQule, Woburn, MA 1996-1999 Research Scientist II, Synaptic Pharmaceutical Corp., Paramus, NJ Grants/Honors 2011 Lawrence Livermore National Laboratory Right-of-Inventor Recognition Award 2005-2007 Coley Inventor Recognition Awards 2003-2004 ArQule Team Recognition Awards 1994-1994 Post-doctoral Fellowship 1990-1993 Research Assistantships 1990-1992 Nominated as a member of the Bergmann Lectureship Committee 1987 Industrial Co-op Fellowship 1982 Student Governmental Association Senior Scholarship C. Contributions to Science Contribution 1: Development of Novel Broad-Spectrum Antimicrobial Agents Through Structure-Based Drug Design. The emergence of multidrug-resistant bacterial pathogens poses a critical threat to public health, necessitating development of novel antimicrobials with broad-spectrum activity against both Gram-positive and Gram-negative bacteria. Research Products: 1. Trzoss, M.; Bensen, D.C.; Li, X.; et al. Bioorg. Med. Chem. Lett. 2013, 23(5):1537-43. 2. Tari, L.W.; Trzoss, M.; Bensen, D.C.; et al. Bioorg. Med. Chem. Lett. 2013, 23(5):1529-36. 3. US Patent 9,732,083 B2 "Tricyclic Gyrase Inhibitors" 4. US Patent Application 2012/0238751 A1 "Pyrimidoindole derivatives as gyrase inhibitors" Contribution 2: Discovery and Development of Small Molecule TLR7/8/9 Modulators. Toll-like receptors (TLRs) play crucial roles in innate immunity and autoimmune diseases. Selective modulators of TLR7/8/9 represent potential therapeutic