Enzyme
Virtual Screening and Fragment Replacement to Find Novel Chemotypes for PDE4B Inhibitors
13 September 2012
Starting with a known PDE4B inhibitor, Cresset ran a virtual screening experiment in forgeV10 (formerly known as FieldTemplater) and a fragment replacement experiment in sparkV10 (formerly known as FieldStere) to find new starting points for research. The results included known active compounds as well as several novel chemotypes. Chronic obstructive pulmonary disease (COPD) is a [...]
Design a Molecule – May 2011
17 May 2011
Our previous Design a Molecule Competition proved so popular that we are running another one! The competition opens today, May 16 and runs until June 20 and once again we will be giving a new iPad2 to the designer of the best molecule. Following a suggestion from Chris Swain at Macs in Chemistry we have [...]
Design a Molecule – Hints and Tips: 1
22 March 2011
Our current Design a Molecule competiton runs to 8th April. Here I will try to describe how I designed a new molecule using FieldAlign and any tips that I can think of to get you a headstart to the iPad2 that waits for the winner. First you will need an evaulation or commercial license to [...]
