Posts Tagged ‘Case Study’
CASE STUDY: Using FieldStere for Scaffold Hopping
19 December 2010
The metabotropic glutamate receptors (mGluR) have become popular and important targets in small molecule drug discovery. In particular there is increasing interest in and clinical trials of mGluR5 antagonists in the treatment of anxiety, depression, pain, gastro-esophageal acid reflux disease (GERD), Parkinson’s disease, epilepsy, and Fragile X Syndrome (FXS). The allosteric binding site of mGluR5 [...]
CASE STUDY: Virtual Screening with 11βHSD-1
19 December 2010
A local role for 11β-hydroxysteroid dehydrogenase type 1(11βHSD-1) in the control of visceral fat deposition has been established in the literature. Although originally thought to predominate as an oxidase, converting cortisol to cortisone, this enzyme has been shown to act as a reductase in vivo for cortisone. This strongly suggests that the inhibition of 11β [...]
CASE STUDY: SAR Analysis and Lead Generation
19 December 2010
Chronic obstructive pulmonary disease (COPD) is a common, progressive disorder of increasing prevalence in industrialized countries. Several drugs have been marketed so far, and several molecular targets have been considered for therapeutic intervention. This project explored the SAR of known PDE4B inhibitors extracted from Thomson Reuters’ Integrity database and used this to derive models that [...]
CASE STUDY: Using FieldTemplater in Library Design
16 December 2010
There is a delicate balance to be struck in library design between identifying all the chemical scaffolds that are potentially active, whilst retaining a manageable library of compounds that is tractable and cost-effective for routine screening. Field templates can be used in library design to predict activity of compounds both at therapeutic targets as well [...]
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