FEB 22, 2018 12:00 PM PST

New Structure Based Drug Design Opportunities for GPCRs and Related Transporters

Presented at: Drug Discovery 2018
Speaker
  • Chief Scientific Officer, 3D-2drug LLC
    Biography
      Sid Topiol is the founder and CSO of 3D-2drug LLC, a collaborative research organization incubating drug discovery projects. 3D-2drug is rooted in the deployment of protein structure/function information into novel and efficient drug discovery opportunities. Sid received his B.S. from CCNY and his Ph.D. from NYU. He trained as a theoretical quantum chemist. He post-docked at Northwestern with Mark Ratner and Arthur Frost, and at Carnegie-Mellon with John Pople (Noble laureate.) He has held various academic affiliations through his career including The Mount Sinai School of Medicine, New Jersey Institute of Technology and Stevens Institute of Technology. He has spent over 20 years in Pharma, starting with Berlex followed by Sandoz/Novartis and then Lundbeck. He has worked on all aspects of Computer Aided Drug Design in interdisciplinary project environments. In 2010 he formed 3D-2Drug. He serves on the Editorial Board of Drug Development Research.

    Abstract

    Structure based drug design is now well established as a highly efficient approach in pharmaceutical research.  The approach uses atomic level detail structures of target proteins, most generally determined through X-ray crystallography. For many years this approach has not been possible for the most common classes of drug targets, particularly membrane bound proteins such as GPCRs and transporters. Approximately 10 years ago, the first X-ray structures in these areas started to emerge and the determination of more structures has begun to accelerate in the recent past. These structures cover a rapidly increasing number of targets and categories including class A, B, C and F GPCRs, endogenous amine transporters. Included in these reports are proteins in various states, novel sites for ligand modulation and other characterizations. These reports have provided valuable information facilitating the design of new compounds with specific features such as intrinsic activity (from active to inactive), ligand bias, selectivity, allosterism and others. This growing body of information will be illustrated along with examples of successes and emerging new opportunities.


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    New Structure Based Drug Design Opportunities for GPCRs and Related Transporters

    Presented at: Drug Discovery 2018

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