Content
Overview
The UK QSAR & Chemoinformatics Meeting returns to Pfizer in Sandwich on Thursday, the 14th of May. The meeting will start with an overview by Tony Wood (Pfizer) on the challenges and opportunities for drug design and then proceed with studies that illustrate how some aspects are being addressed. There will be a poster session during lunch.
Graeme Robb (AstraZeneca), Steve Muskal (Eidogen-Sertanty) and John Liebeschuetz (CCDC) will each discuss approaches to encourage ideas for ligand design. George Papadatos (Sheffield) will extend our understanding of similarity using molecular fingerprints. Steve Enoch (Liverpool JM) will describe reaction chemistry principles as a means to predict toxicity whilst Neil Benson (Pfizer) will show that analysis of biological pathways can help reduce attrition. The meeting will close with Paul Bamborough's (GlaxoSmithKline) studies on the kinase profiling and selectivity.
Please enrol by Friday, the 1st of May. Details of travel, accomodation and the pre-meeting dinner will follow in the acknowledgement of your registration.
Programme
| Registration and coffee (9:15-10:00) | ||
| Morning session (10:00-12:00) | ||
| 10:00-10:05 | Kuen Yeap (Pfizer) Welcome | |
| 10:05-10:15 | Brad Sherborne (Schering-Plough) Group business | |
| 10:15-10:50 | Tony Wood (Pfizer) Challenges and opportunities for drug design | |
| 10:50-11:25 | Graeme Robb (AstraZeneca Alderley Park) Hypothesis-driven drug design using wiki-based collaborative tools | |
| 11:25-12:00 | Steve Muskal (Eidogen-Sertanty) Using receptor-site and protein structural similarity to generate new matter ideas | |
| Buffet Lunch and Poster session (12:00-13:10) | ||
| Afternoon session (13:10-16:15) | ||
| 13:10-13:45 | John Liebeschuetz (Cambridge Crystallographic Data Centre) Insight into molecular geometry and interactions using small molecule crystallographic data | |
| 13:45-14:10 | George Papadatos (University of Sheffield) How similar is similar? A study of the similarity principle using molecular fingerprints in the context of lead optimisation | |
| 14:10-14:35 | Steve Enoch (Liverpool John Moores University) Chemical category formation using electrophilic reaction chemistry principles to predict toxicity | |
| Tea (14:35-14:55) | ||
| 14:55-15:30 | Neil Benson (Pfizer) Pathway analysis; converting data into knowledge using mathematical models | |
| 15:30-16:05 | Paul Bamborough (GlaxoSmithKline) Kinase profiling and how selectivity works | |
| Close of Meeting - Tea available (16:05) | ||