Monrovia, CA -- (SBWIRE) -- 04/16/2012 -- Alexander Hillisch, Director of Medicinal Chemistry & Head of Computational Chemistry at Bayer to give a Featured Presentation on “Ligand and Structure-based ADMET Prediction: Tools and Applications in Lead Finding and Optimization” at the 6th Drug Design & Medicinal Chemistry Conference (June 7-8, 2012 in San Diego, CA)
The number of solved X-ray structures of proteins relevant for ADMET processes of drug molecules has increased remarkably over recent years. In principle, this development offers the possibility to complement the quantitative structure–property relationship (QSPR)-dominated repertoire of in silico ADMET methods with protein-structure-based approaches. However, the complex nature and the weak nonspecific ligand-binding properties of ADMET proteins take structural biology methods and current docking programs to the limit.
In this talk, Dr. Hillisch will discuss the utility of protein-structure-based design and docking approaches aimed at overcoming issues related to plasma protein binding, active transport via P-glycoprotein, hERG channel mediated cardiotoxicity and cytochrome P450 inhibition, metabolism and induction. The presentation will compare QSPR approaches with protein-structure based ADMET prediction and highlight the strengths and weaknesses of the approaches.
GTC is proud to present the 6th Drug Design and Medicinal Chemistry Conference held on June 7-8, 2012 at the Hilton San Diego Resort & Spa in San Diego, CA, which will bring together leading industrial and academic experts to further collaborate on the exciting advances in the field. Experts will facilitate discourse on topics such as strategies for hit and target identification, fragment based drug design, chemoinformatics, protein-protein interactions, ligand based drug design, computer aided drug design, protein flexibility, high performance computing, covalent inhibitors, mutational resistance, selectivity of kinase inhibitors, potency, specificity, lead optimization, ADMET, safety in drug discovery, advances in drug delivery and much more.
The sessions for the 2012 agenda include 1). Druggability, Chemical Tractability, Druglikeness, Leadlikeness 2). Optimization Strategies 3). Advances in Drug Design & Delivery 4). Trends & Challenges in Drug Discovery.
The top companies and experts in the field of Drug Design & Medicinal Chemistry will come together to discuss the latest discoveries. Companies include ArQule, Array BioPharma, Astex Therapeutics, OSI Pharmaceuticals, GlaxoSmithKline, Merck, Pfizer, Bayer, Genentech, Hoffmann-La Roche, Johnson & Johnson, Novartis, Eli Lilly, Genzyme, and much more!
Keynote & Featured Speakers Include:
Barry A. Morgan, Vice President, Molecular Discovery Research, Site Head in Boston, GlaxoSmithKline
Alexander Hillisch, Director, Medicinal Chemistry & Head, Computational Chemistry, Bayer
Francesca Milleti, Head, Cheminformatics & Statistics, Hoffmann-La Roche
Stephen Burley, Distinguished Lilly Research Scholar, Lilly Biotechnology Center, Eli Lilly
This conference is part of the Drug Discovery and Regulatory Summit, which consists of three other conferences:
- Antibody Design and Discovery
- Biospecimen Repositories
- Life Science Legal & Business Strategy
For more information, please visit http://www.gtcbio.com
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