2024年度のディナーショートコース*（対面形式限定）

Topics to be Covered:

• Measuring ADME properties in vitro and in vivo and specific challenges
• Metabolism of PROTACs and influence of linker length on stability
• Case study of optimizing a PROTAC
• Safety issues unique to PROTACs
• Circadian rhythm considerations

Who Should Attend:

Scientists in the field of proteolysis targeting chimeras (PROTACs) and would like to deepen their understanding of these molecules and the physicochemical attributes that may contribute to their success as oral drugs. ADME scientists and medicinal chemists wishing to understand PROTACs from a drug safety and metabolism perspective. Graduate students and academic scientists interested in learning more about this rapidly developing new drug modality.

Topics to be Covered:

• Pros and cons of fragment-based approaches 
• What makes a good fragment; properties of a good fragment library 
• Finding, validating, and characterizing low-affinity ligands 
• The importance of using orthogonal screening methods
• What to do with a fragment-growing, linking, and more

Topics to be Covered:

• Introduction to DNA-encoded libraries
• Pros and cons of using DNA-encoded chemical libraries
• Structure of the DNA coding region and how it has evolved over time
• Affinity-based selection strategy and how it guides hit-picking
• Data analysis and the decision-making logic in hit confirmation
• Introduction to and benefits of one-bead, one-compound (OBOC) DNA-encoded libraries

Topics to be Covered:

• Comparison of Rule of 5 and Beyond Rule of 5 space
• Importance of intramolecular hydrogen bonds for solubility and permeability
• Determining chameleonicity and its importance for PROTACs
• Transporters and potential drug-drug interactions (DDIs) 

Who Should Attend:

Scientists in the field of proteolysis-targeting chimeras (PROTACs) who would like to deepen their understanding of these molecules and the physicochemical attributes that may contribute to their success as oral drugs. ADME scientists and medicinal chemists wishing to understand PROTACs from a drug safety and metabolism perspective. Graduate students and academic scientists interested in learning more about this rapidly developing new drug modality.

Topics to be Covered:

• Chemical biology assays and probes for target engagement and mechanistic understanding
• Chemoproteomic methods and reagents for covalent ligand drug discovery
• Comparison of various chemical biology approaches (mass spectrometry, affinity-bead methods, thermal profiling, and more) 
• Use of quantitative mass spectrometry-based proteomics and global proteomics
• Cysteine profiling and covalent inhibitors for target discovery and occupancy
• Design and screening of chemogenomics libraries for target identification
• Case studies highlighting use of proteomics for target engagement and deconvolution

Topics to be Covered:

• Overview of GPCR structure and biology
• GPCR expression and purification technologies for structure-function investigations
• Biophysical methods for small molecule screening and characterization
• GPCR dynamics - examining conformational changes associated with ligand binding and activation
• Emerging technologies - introduction to cutting edge biophysical technologies including single-molecule imaging, NMR, and computational approaches

Topics to be Covered:    

• Demystifying generative AI concepts and key terminologies  
• How predictive and generative AI works in de novo molecular design
• Overview of large language models (LLMs)  
• Prompt engineering, RAG, and fine-tuning for biopharma-specific LLMs
• Leveraging language models in drug discovery research with case studies

Who Should Attend:

This course is designed for medicinal chemists, molecular modeling users, and project managers seeking to harness the capabilities of modern generative AI concepts and integrate them into their work.