Posts Tagged ‘SAR’
Design a Molecule Contest Winner
06 July 2011
We are delighted to announce the winner of our second Design a Molecule Contest; congratulations to Chris Swain of Macs in Chemistry! His excellent design for an anti-malarial molecule has won him a brand new iPad2. In this contest we asked contestants to design a molecule that mimics a known ligand for Plasmodium falciparum [...]
Field-Focused Library Design
01 December 2010
Article published in Drug Discovery and Development: When designing libraries against specific targets, a wide range of activities—therapeutic, off-target, and toxicity—must be predicted. Experience has shown that a compound’s biological activity cannot be predicted solely by its 2D structure and we need to use a more detailed description of the molecule. At its most basic [...]
FieldAlign v 3.0
01 December 2010
Enabling Rapid Design and SAR Interpretation The latest release of FieldAlign brings new functionality that will increase your SAR knowledge and help you design the best next synthesis. FieldAlign has always given you biologically relevant molecular comparisons that can be used to find the root causes of activity or inactivity. FieldAlign v3.0 makes this easier [...]
The 3rd RSC/SCI Conference on GPCRs in Medicinal Chemistry
13 October 2010
Another excellent conference organised jointly by the SCI and RSC at the MSD Site in Oss, Netherlands. The third in the biannual series featured a mixture of perspectives, case histories and new methods that gave an excellent view of the current state of GPCR drug discovery. The conference started with Ad IJzermann presenting his group’s [...]
FieldView – Using Free Software to Study SAR Trends
01 September 2010
FieldView is a molecular editor and viewer that displays molecules in 2D or 3D with their associated Field patterns and physicochemical properties. FieldView can be used to analyze activity, toxicity and ADME properties and correlate them with molecular Fields. FieldView is available for free from: www.cresset-group.com/product/fieldview Histamine plays a variety of physiological roles in the [...]
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