2013 Archived Content

 SC17 Mastering Physicochemical Properties-Based Analysis
to Deliver Improved Drug Candidates

Monday, February 20, 2012 | 4:30 – 7:30 PM

Analyzing drug lead series physicochemical properties – biochemical/ADME/selectivity data relationships yields knowledge critical for efficiently and rapidly designing for improved potency, selectivity and ADMET characteristics in parallel. Design strategies using this knowledge, strengthened with key insights from protein-ligand structures, have delivered high quality clinical candidates via multiparameter optimization. At the heart of this approach are the concepts of Lipophilic Ligand Efficiency (LipE or LLE) and Ligand Efficiency and the practice of designing to maximize LipE. The principles and specifics of this approach to drug lead optimization will be illustrated in this workshop through multiple real life case studies covering the invention of several new medicines across a number of therapeutic areas including cancer and antivirals.

Who should attend this workshop?

Any practicing or aspiring medicinal chemist or other scientific professional engaged in drug discovery research should expect to learn new and applicable insights and strategies for more rapid and effective drug lead optimization to high quality clinical candidates.

Course Agenda:

4.30 Establishing the fundamental principles of Physical Property Based Optimization (PPBO) – what is PPBO? Why do we need it? Why does it work so well?
5.30 Break for dinner
6.00 Designing to improve LipE, ADMET profile and off-target selectivity efficiently and in parallel – Illustrated with multiple real project examples
7.00 Break
7.10 Q&A, discussion & final conclusions

Course Instructor:

M EdwardsMartin P. Edwards, Vice President & Head, Oncology Research Chemistry, Pfizer La Jolla

Martin has more than twenty seven years of drug discovery experience in the pharmaceutical industry. He joined Pfizer in 1993 at the Sandwich, U.K. site, after working with ICI Pharmaceuticals/Zeneca as a medicinal chemist for nine years. At Sandwich, he lead various Medicinal Chemistry groups, including Antivirals, Antifungals, Allergy & Respiratory GI, Pain and New Leads Chemistry. During his time at Sandwich, projects staffed with medicinal chemists from his group advanced numerous compounds to the clinic, most notably Maraviroc, the first CCR5 antagonist for HIV/AIDS to reach the market.

Martin moved to the United States in 2001, to head up Medicinal Chemistry at Pfizer La Jolla (formerly Agouron). Chemists working under Martin’s leadership at Pfizer La Jolla have also advanced numerous compounds to the clinic, most notably the just-approved Xalkori® (crizotinib), a cMet/ALK inhibitor for non small cell lung cancer, filibuvir, an HCV polymerase inhibitor for HCV, which is in Phase 2, and several other kinase inhibitors for cancer treatment, which are under evaluation in patients.

Martin received his Ph.D. in Organic Chemistry at Imperial College in London, where he worked in Professor Steve Ley’s group. He completed his postdoctoral research in Synthetic Organic Chemistry at Columbia University in New York City under the direction of Professor Gilbert Stork. He is a member of the American Chemical Society; and he is an inventor or author of more than 40 patents, patent applications and papers.

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