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Webster S.P.,Queens Medical Research Institute | Binnie M.,Queens Medical Research Institute | McConnell K.M.M.,Queens Medical Research Institute | Sooy K.,Queens Medical Research Institute | And 9 more authors.
Bioorganic and Medicinal Chemistry Letters | Year: 2010

Inhibitors of 11β-hydroxysteroid dehydrogenase (11β-HSD1) show promise as drugs to treat metabolic disease and CNS disorders such as cognitive impairment. A series of 1,5-substituted 1H-tetrazole 11β-HSD1 inhibitors has been discovered and chemically modified. Compounds are selective for 11β-HSD1 over 11β-HSD2 and possess good cellular potency in human and murine 11β-HSD1 assays. A range of in vitro stabilities are observed in human liver microsome assays. © 2010 Elsevier Ltd. All rights reserved. Source

Hussain A.,University of Nottingham | Melville J.L.,Cresset Biomolecular Discovery Ltd | Hirst J.D.,University of Nottingham
Journal of Computer-Aided Molecular Design | Year: 2010

Actin-binding natural products have been identified as a potential basis for the design of cancer therapeutic agents. We report flexible docking and QSAR studies on aplyronine A analogues. Our findings show the macrolide 'tail' to be fundamental for the depolymerisation effect of actin-binding macrolides and that it is the tail which forms the initial interaction with the actin rather than the macrocycle, as previously believed. Docking energy scores for the compounds were highly correlated with actin depolymerisation activity. The 3D-QSAR models were predictive, with the best model giving a q 2 value of 0.85 and a r 2 of 0.94. Results from the docking simulations and the interpretation from QSAR "coeff*stdev" contour maps provide insight into the binding mechanism of each analogue and highlight key features that influence depolymerisation activity. The results herein may aid the design of a putative set of analogues that can help produce efficacious and tolerable anti-tumour agents. Finally, using the best QSAR model, we have also made genuine predictions for an independent set of recently reported aplyronine analogues. © 2009 Springer Science+Business Media B.V. Source

Cresset BioMolecular Discovery Ltd | Date: 2005-01-18

Computer software for the design of new molecules in the field of biomolecular research; computer software for accessing information directories and databases in the field of biomolecular research. DESIGN AND DEVELOPMENT OF COMPUTER SOFTWARE FOR USE IN RELATION TO SCIENTIFIC RESEARCH.

Cresset Biomolecular Discovery Ltd | Date: 2014-04-09

The present invention provides Nalidixic acid and analogues of Nalidixic acid, pharmaceutical compositions including at least one of Nalidixic acid and analogues of Nalidixic acid, and methods for treating inflammatory ophthalmic disorders by local administration. The ophthalmic disorders may be characterized by ocular inflammation, dry eye disorders, pathological ocular angiogenesis, or retinal or sub-retinal edema.

Cresset Biomolecular Discovery Ltd. | Date: 2014-04-09

The present invention provides Nalidixic acid and analogues of Nalidixic acid, and methods for treating inflammatory disorders. The Nalidixic acid and analogues of Nalidixic acid may be formulated for topical delivery or systemic delivery. The inflammatory disorders that may be treated with the Nalidixic acid and analogues of Nalidixic acid include respiratory diseases, chronic degenerative diseases, dematological conditions, chronic demyelinating diseases, dental diseases, ophthalmic conditions, inflammatory bowel diseases, and graft versus host diseases.

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