FieldScreen


FieldScreen v2.6.0

11 January 2011

FieldScreen 2.6.0 has been released. A completely new interface heralds significant improvements to the performance and user ability of our highly effective virtual screening application. Specific improvements include: A new conformation hunting algorithm for molecules containing flexible rings Full support for the upload of compound collections as smiles strings Faster result retrieval Improved interface to [...]

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Gene Control – Reactivating the FMR1 Fragile-X Gene

13 September 2010

Fragile-X syndrome affects approximately 1 in 4,000 people and results in a range of physical and mental defects. The FMR1 gene codes for a protein that may control the development and subsequent plasticity of synapses. FMR1 is turned off in sufferers by histone methylation and can be reactivated by histone deacetylase (HDAC) inhibitors. Our collaborators [...]

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Inhibitors of PDE4B

13 June 2010

Chronic obstructive pulmonary disease (COPD) is a common, progressive disorder of increasing prevalence in industrialized countries. COPD is an all-inclusive term that refers to a set of symptoms including chronic cough, expectoration, exertional dyspnea and a significant, progressive reduction in expiratory airflow that may or may not be partly reversible. The airflow limitation is usually [...]

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Drug Repositioning – IMPDH

13 May 2010

Inositol monophosphate dehydrogenases (IMPDH) are vital enzymes in the production of GMP, GDP and GTP. IMPDH is important for cell growth and its inhibition is potentially useful in immunosuppression, anticancer therapy, psoriasis, rheumatoid arthritis and antiviral chemotherapy. Our client, a small biotechnology company, wished to find new candidates for IMPDH from existing drugs that had [...]

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Protein-Protein Interactions – Inhibition of β-Amyloid Aggregation

01 January 2010

Senexis Ltd had developed a series of ‘meptides’ (N-methylated peptides) that block the aggregation of β-amyloid. An example ‘L-meptide’ search molecule is shown right. Cresset was asked to use FieldScreen to find novel series of non-peptide small molecules with different physico-chemical properties from the ‘meptides’. A β-sheet conformation for four of the meptides was assumed [...]

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