PRE-CONFERENCE WORKSHOP DAY | TUESDAY APRIL 1, 2025
8:00 am Check In & Morning Coffee
9:00 am – 12:00 pm Workshop A
Understanding the Limitations, Possibilities & Complementarity of Computational & Medicinal Chemistry Advancements to Predict Peptide Structure & Function
Synopsis
Currently, one of the biggest bottlenecks holding the peptide therapeutic space back from success is the lack of crystal structure data for peptides, making it difficult to understand the 3D nature of interactions of peptides with themselves, other proteins, and ligands. There is a need to advance computational technologies that will help with peptide structure prediction. Additionally, limitations in current medicinal chemistry techniques and a disconnect in understanding the potential of computational and biochemistry approaches in deciphering peptide structure and function further complicate the process.
This workshop provides a deep dive opportunity to learn about:
- The possibilities and challenges of peptide drug prediction and design from a computational, medicinal chemistry and experimental perspective
- Discussing how to help design datasets that are retractable for machine learning, fine tune models and process high volume datasets in an expedited manner
- Using AI/ML-powered algorithms to predict peptide structures, permeability and potency
- Sharing optimized software developments that are turbocharging peptide drug discovery forward
- Utilizing sequence/structure-activity relationships (SAR) studies for lead selection and optimisation
12:00pm Lunch & Networking Break
1:00 pm – 4:00 pm Workshop B
Defining a Set of Guided Peptide Design Principles by Working Backwards Through Successful or Promising Peptide Medicinal Chemistry Campaigns
Synopsis
Small molecules have offered both therapeutic advantages and disadvantages by obeying the bRo5. However, exploring the bRo5 space has gained popularity in recent years, with macrocycles being touted as the next drug modality set to disrupt both the drug development and healthcare space, with their unique physiochemical properties. As the preclinical potential of peptide-based therapies becomes more of a clinical reality, optimizing novel peptides to confer PPI targeting, good membrane permeability and oral bioavailability is key to propelling these drugs into the clinic and to patients in need.
This workshop provides a deep dive opportunity to learn about:
- Reviewing recent peptide drug clinical success stories, to define the target product profile (TPP) of trailblazing candidates that are being translated into the clinic and beyond
- Deciphering the commonalities of successful peptide medicinal chemistry campaigns
- Extrapolating a more refined and updated roadmap of bRo5 physicochemical properties to provide a better picture of guided peptide drug design principles
- Understanding solubility/permeability balance, CNS penetration and metabolic stability to derisk your drug development efforts