S.2. Addressing ADME Challenges

S2. Addressing ADME Challenges

Session 2: Rational Approaches to Addressing ADME Challenges in Drug Discovery

Session Chair: Max Cummings, Johnson & Johnson
Monday, 09 February 2015, from 14:00 to 17:00
SUMMARY
Showcase the use of structure based drug design in overcoming ADME-related challenges in drug discovery, foster discussion of any areas of perceived low-hanging fruit for the application of SBDD to ADME issues.

S2: P450 Metabolism

Matthew Segall, Optibrium Limited
PRESENTING AUTHOR: 

Matthew Segall

ABSTRACT CONTENT / DETAILS: 

In this presentation we will describe recent developments to a method for predicting Cytochrome P450 metabolism that combines quantum mechanical (QM) simulations to estimate the reactivity of potential sites of metabolism on a compound with a ...