MOE Workshop Series


June 06, 2018

Location: Hotel Palace Berlin
Budapesterstr. 45, Berlin, 10787, Germany
* Please note that this workshop is associated with the 6th Annual Discovery Chemistry and Drug Design Congress, organised by Oxford Global, who are handling registration. Attendance at this conference is not required in order to attend this workshop.


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  I would like to use my own laptop during the workshop(s).

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Please check the session(s) that you would like to attend:

12:30 to 13:30 Registration and Lunch
13:30 to 15:00 Ligand-Based Drug Design and SAR Analysis
15:00 to 15:30 Refreshment Break
15:30 to 17:00 Structure-Based Drug Design

Your registration will be confirmed.

 Registration and Lunch

 Ligand-Based Drug Design and SAR Analysis
The course covers essential in silico methods needed for guiding drug discovery projects in the absence of a protein structure. Analysis of SAR through R-group profiling and matched molecular pairs (MMP) analysis using MOEsaic to determine relationships among a chemical series are examined. Molecular descriptor calculations and their application for determining property correlations along with diversity analysis are described. Molecular alignments and conformational analyses of a congeneric series are explored to assess the impact of ligand substituents. An approach for developing pharmacophore queries is discussed. Management and manipulation of MOE databases are also covered.

 Refreshment Break

 Structure-Based Drug Design
The course describes SBDD workflows in drug discovery projects and encompasses a range of topics from pharmacophore query generation to protein-ligand interaction fingerprints. More specifically, the course will cover the application of pharmacophores in the context of protein-ligand docking, scaffold replacement and R-group screening. A method for querying a 3D project database will also be presented along with the generation and analysis of protein- ligand interaction fingerprints (PLIF).

For questions, please contact:
Raul Alvarez
Senior Marketing Manager