2022 Presentations

P01: Above and Beyond: Measuring Lipophilicity of Large Molecules, Presented by Andrew C., Analiza, Inc.

P02: ASGPR-Targeting Chimeras (ATACs): A New Class of Degraders for Targeting Extracellular Proteins, Presented by Srinivasa K., Avilar Therapeutics

P03: Deconvolution of Structure-Activity Relationships of Peptide Inhibitors of the KEAP1/Nrf2 Protein-Protein Interaction Using Machine Learning, Presented by Samantha M., Boston University

P04: Identification of Selective Covalent Small Molecule Inhibitors of ZAP70, Presented by Ping C., BridGene Biosciences

P05: IMTAC™ - A Next Generation Chemoproteomic Platform to Discover Small Molecule Therapies for Hard-to-Drug Targets, Presented by Ping C., BridGene Biosciences

P06: Increasing DNA Encoded Library Screening Resolution Using HT-SPR, Presented by Rebecca R., Carterra

P07: Structural and Mutational Investigation of Human Hematopoietic Prostaglandin D2 Synthase and Inhibitors, Presented by Kendall M., Cayman Chemical Company, Inc.

P08: A Next Generation Fluorinated Fragment Library for 19F-NMR Ligand-Based Screening Incorporating the Latest Trends in Fragment Library Design, Presented by Chris H., Charles River Laboratories

P09: Towards Designing PROTACs by Coarse-Grained Modeling, Presented by Paulo Cesar T., CNRS and Universite de Lyon

P10: Molecular Interaction Analysis by Grating-Coupled Interferometry (GCI), Presented by Tatiana T., Creoptix AG

P11: Sensor Chip NA for High-Performance Biacore SPR Analysis, Presented by Cynthia s., Cytiva

P12: Analysis of Small Molecule Interactions on Nucleic Acid Secondary Structure: A Single Molecule Approach, Presented by Jimmy O., Depixus

P13: Ligand Identification from Natural Product-Inspired Collections Using AS-MS, Presented by Jean-Yves O., Edelris SAS

P14: Simplifying Degrader Discovery by Screening Across E3 Ligase Families, Presented by Jean B., Eurofins Discovery

P15: High Throughput Screening Cascade to Generate Highly Selective Hits for PIM3 Kinase, Presented by Poonam K., Eurofins Discovery

P16: Detect Conformational Change of Large Protein Induced by Small Molecules Using SPR, Presented by Qingliang S., Ferring Pharmaceuticals, Inc.

P17: Characterization of Molecular Glues – An Automated In-Solution Platform, Presented by Mays H., Fida Biosystems ApS

P18: Fully Automated Characterization of Ternary Complex Formation Using Flow Induced Dispersion Analysis, Presented by Mays H., Fida Biosystems ApS

P19: CryoDiscovery™: A Machine Learning Platform for Automated Cryo-EM Class Selection in Structure-Based Drug Discovery, Presented by Kennedy B., Health Technology Innovations, Inc.

P20: F2X-Universal Library and F2X-Entry Screen - Structurally Diverse Fragment Libraries Yield Unprecedented Hit Rates in Crystallographic Screening, Presented by Tatjana B., Helmholtz-Zentrum Berlin

P21: Routes for Synthesis of Metabolites of Ruxolitinib and Epacadostat, Presented by Liam E., Hypha Discovery Ltd.

P22: J2H-2002, an Oral, Selective, and Potent Protein Degrader for the Treatment of NSCLC with Osimertinib-Resistant EGFR C797S Mutations, Presented by Sooji Y., J2H Biotech

P23: Building a Diverse and Experimentally Curated Fluorine Fragment Library, Presented by Andrew L., Key Organics Ltd.

P24: Fragment Libraries for FBDD, Presented by Vasily P., Life Chemicals, Inc.

P25: Harnessing the Biophysical Fragment Screening Sweet Spot to Discover New Chemotypes for BRPF1 Inhibition, Presented by Verna F., Malvern Panalytical

P26: Structural Insights into the Inhibition of the SARS-CoV-2 Main Protease (Mpro) by Small Molecules, Presented by Haydar B., National Institutes of Health, National Cancer Institute

P27: Proton Transport Mechanism in Liquid Imidazole: A First Principle Molecular Dynamics Study, Presented by Zhuoran L., New York University

P28: Case Study: Streamlining Hit-to-Lead Discovery with Deep Learning Platform Cerella™, Presented by Scott L., Optibrium Ltd.

P29: Reimagining Compound Idea Generation with Dynamic Learning to Generate Better Compounds, Presented by Kylee M., Optibrium Ltd.

P30: A Novel AI-Assisted Design Approach to Discover Selective Inhibitor for FLT3 (D835Y) in Acute Myeloid Leukemia, Presented by SooMin C., PharmCADD

P31: Lumit™ Protein Interaction Immunoassays Using Protein Tags and Biotinylated Small Molecules, Presented by Steven E., Promega Corporation

P32: Unlocking Targeted Protein Degradation, Presented by Steven E., Promega Corporation

P33: Broad Spectrum Cellular Kinase Selectivity Profiling in Live Cells with NanoBRET™ Technology, Presented by Kara M., Promega Corporation

P34: NanoBRET as a Live Cell Method to Assess PROTAC Affinity and Intracellular Availability for E3 Ligases, Presented by Kara M., Promega Corporation

P35: BRET Probes for Profiling Reversible Engagement of RAS in Live Cells, Presented by Joel W., Promega Corporation

P36: True High-Throughput Analysis of Transporter Activity Screens – Using Echo® MS System, Presented by Loren O., SCIEX

P37: Metabolite Profiling and ID of Cyclic Peptides Using Automated Software Processing and High-Resolution Mass Spectrometry, Presented by Bahar R., SCIEX

P38: University of California Drug Discovery Consortium: Linking Academia with Industry, Presented by Jordan K., University of California Drug Discovery Consortium

P39: LYsine COvalent Degraders (LYCODE): Exploring E3-Covalent Ligands for Targeted Protein Degradation, Presented by Giulia A., University of California, Riverside

P40: NMR-Guided Design of Potent and Selective EphA4 Agonistic Ligands, Presented by Carlo B., University of California, Riverside

P41: Bi-Functional Ligands for Targeted Degradation of Surface Receptors, Presented by Anne Marie P., University of California, Riverside

P42: Discovery of Novel cPLA2 Inhibitors Using VSYNTHES2.0, Presented by Anastasiia S., University of Southern California

P44: Developing Selective Inhibitors for HDAC3 via CAP Group Structure-Activity Relationship, Presented by Diaa A., University of Toronto, Mississauga

P45: Chemoproteomic Characterization of a Novel Halobenzene Warhead and Its Applications in Drug Discovery, Presented by Ayah A., University of Toronto, Mississauga

P46: First-in-Class DNAJ-PRKACA Inhibitor for the Treatment of Fibrolamellar Hepatocellular Carcinoma, Presented by Rebecca A., University of Toronto, Mississauga

P47: Structural and Biophysical Implications of STAT5B SH2 Domain Mutation in Blood Cancers, Presented by Qirat A., University of Toronto, Mississauga

P48: A Comprehensive 19F NMR-Based Fragment Screening Platform for GPCR Ligand Discovery, Presented by Geordon F., University of Toronto, Mississauga

P49: Exploring Strategies for Selective Degradation of Histone Deacetylase 6 (HDAC6) in Multiple Myeloma, Presented by Harsimran G., University of Toronto, Mississauga

P50: Development of Covalent Microtubule Inhibitors as Treatments for Hematological Malignancies, Presented by Christina G., University of Toronto, Mississauga

P51: Capture-Covalent Immobilization for Single Cycle Kinetic Analysis of Conformationally-Constrained HDAC8 Inhibitors, Presented by Johan I., University of Toronto, Mississauga

P52: Bifunctional Molecules Beyond PROTACs: Preliminary Data Involving Induced Phosphorylation of HDAC6, Presented by Erica Q., University of Toronto, Mississauga

P53: JAK-STAT Core Cancer Interactome, Presented by Tudor R., University of Toronto, Mississauga

P54: Decorating Bacteria with Self-Assembled Synthetic Receptors, Presented by Pragati P., Weizmann Institute Of Science

P55: Case Studies of Combining DNA-Encoded Library and Machine Learning to Maximize the Opportunities of Hit Discovery, Presented by Jason D., WuXi AppTec

P56: DNA-Encoded Chemical Library Technology and Its Application Towards TAM Kinases, Presented by Paige D., X-Chem, Inc.

P57: Building the Next Generation AI-Driven Drug Design Engine-Self-Evolving, Learning from Scratch De Novo Drug Design, Presented by Xing C., YDS Pharmatech

P58: Discovery of Macrocyclic Peptides as Antagonists and PPI Inhibitors Directly from Functional Screens, Presented by Rumit M., Zonsen Peplib Biotech

P59: Novel HTS-Compatible Peptide Discovery Platform for the Screening of Functionally Active Peptides, Presented by Sally W., Zonsen Peplib Biotech

P60: Multimodal Transformer-based Model for Buchwald-Hartwig and Suzuki-Miyaura Reaction Yield Prediction, Presented by Shimaa B., Integrant, Inc.

P61: Protein-Based Virtual Screening Tools for RNA-Ligand Docking: Can We Trust Them?, Presented by Christian K., Johannes Gutenberg University

P62: Development and Applications of Covalent CBX Chromodomain Probes, Presented by Sijie W., Purdue University

P63: A Small Molecule Drug Design for Targeting WNK1 in Triple Negative Breast Cancer, Presented by Ashari K., UT Southwestern Medical Center

P64: Targeting ML-IAP with Lys-Covalent Antagonists: Design, Synthesis, and Cellular Activity, Presented by Parima U., University of California, Riverside