2013-03-19 08:37:33 - Dr. Istvan Enyedy, Senior Scientist of Chemistry at Biogen-Idec, will speak on “New In Silico Strategies for Hit-Identification and Optimization” at GTC’s 7th Drug Design & Medicinal Chemistry Conference, May 8-10, 2013 in Boston, MA.
The pharmaceutical industry is currently interested in modulating targets that are challenging from the drug design point-of-view. Thus, the development of new in silico approaches and improvements in current technology are necessary for the design of compounds that modulate these targets. The use of information from known protein-ligand co-crystal structures is also necessary for generating new starting points or for modifying and optimizing existing “hits” using in silico fragment-based strategies.
Dr. Enyedy will give examples where MED-SUMO and ATLAS have been used in combination with docking software in order to generate new chemotypes, and how MED-SUMO is a useful tool for mining experimental data to identify functional groups that are known to bind to protein features of interest. He will
also review how the use of constraints can identify fragments binding in the regions of interest in a binding site, in addition to discussing some of the challenges in selecting active compounds through docking and scoring.
Dr. Istvan J. Enyedy has been involved in new target evaluation, hit-finding and hit-to-lead optimization projects for several types of target classes using both ligand and structure-based methods over the past 14 years. He is the co-author of more than 30 publications and 9 patents and applications. He has worked for various pharmaceutical companies, including Bayer Pharmaceuticals and Novartis’ Institutes for Biomedical Research. He currently serves as a senior scientist at Biogen-Idec in Cambridge, MA.
GTC’s 7th Drug Design & Medicinal Chemistry conference provides a forum for leaders from both industry and academia working in the fields of medicinal chemistry, computational chemistry, structural biology and related areas to review advances in established methods in drug discovery and discuss hot topics such as epigenetics, binding kinetics, data sharing and many more.
To view the conference agenda, click here.
To view the speaker list, click here.
The conference is part of the Drug Discovery Summit 2013, and will run parallel with three other exciting conferences:
Orphan Drugs Research and Commercialization
3rd Epigenetics in Drug Discovery
6th Imaging in Drug Discovery and Development
For more information, please visit www.gtcbio.com/