In Silico Prediction of Phase I and II Metabolism: Guiding Optimisation of Drug Metabolism

Presenter:

• Matthew Segall, CEO at Optibrium

For success as a drug, compounds must reach the target site at a sufficient concentration and for an appropriate duration, whilst also being metabolised and excreted within a reasonable timeframe without creating reactive or toxic metabolites. We will describe unique mechanistic in silico models that help researchers design drugs in the early stages to satisfy all these requirements. 

The StarDrop™ Metabolism module is a new precision modelling environment which helps you to determine Phase I and II metabolic routes, sites, products and lability for your compound. It enables users to quickly identify metabolic pathways, likely metabolites and guide compound design to avoid metabolic liabilities.

In this workshop, you’ll have the chance to get hands-on and try the Metabolism module for yourself, within the cloud-based StarDrop drug discovery platform. Together, we will use practical examples to:

• Determine how to design new compounds for greater metabolic stability.
• Identify the routes and products of metabolism to reduce the risk of drug–drug interactions, issues due to genetic polymorphisms, or the formation of reactive or toxic metabolites.
• Pinpoint the most important enzymes to ensure coverage during preclinical studies.

This workshop is suitable for anyone looking to achieve a practical understanding of how to predict drug metabolism and apply the results in their projects. Please register in advance to receive your log in details.

Workshop attendees will also receive one month’s free access to StarDrop and the Metabolism module following this session.

AI for Medicinal Chemists: Novel Compounds Design and Retrosynthesis Prediction

Presenter:

• Quentin Perron, CSO at Iktos 

At Iktos, we're at the forefront of AI-based generative chemistry, pioneering the way for innovation in drug design and discovery. With our cutting-edge technology platform, we've harnessed the power of Generative AI, enabling ground-breaking developments in the field.

Discover the future of drug discovery with Iktos. Don't miss this opportunity to delve into the world of AI for drug discovery. Register today!