Scientific Software offers bioisostere replacement tool.
November 14, 2011 -
Using field-point technology together with database of molecular fragments, FieldStere v3.0 helps guide drug discovery projects and generate new intellectual property. Program works on both projects operating with protein crystallography support and those without these resources. Unlike traditional pharmacophore approaches, FieldStere uses molecular interaction with proteins as core descriptor rather than 2D structure, enabling diverse active molecules to be described as similar.
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|Original Press release |
Cresset Group Ltd
Welwyn Garden City, , AL7 3AX
Cresset Announces Release of FieldStere Version 3.0
Welwyn Garden City, UK - Cresset is pleased to announce the release of a new version of popular bioisostere replacement tool, FieldStere. FieldStere is a fast and powerful software tool which uses Cresset's innovative field-point technology, together with a database of molecular fragments, to help guide drug discovery projects and generate new intellectual property. Version 3.0 includes impressive updates to the science and user interface, and constitutes the most significant scientific update to FieldStere since its introduction.
FieldStere V3.0 now enables researchers using fragment based drug discovery protocols to grow initial leads computationally, giving significant boosts to productivity and diversity. Importantly, FieldStere works both on projects operating with protein crystallography support and on those without these resources, an area currently under supplied with computational techniques. Unlike traditional pharmacophore approaches, FieldStere uses molecular interaction with proteins as a core descriptor rather than 2D structure, enabling diverse active molecules to be described as similar.
"This version of FieldStere introduces major enhancements to the fundamental science. The ability to grow from fragments to introduce and refashion interactions made by other molecules will add significantly to the computational arsenal of Fragment Based Drug Discovery researchers." said Dr Mark Mackey, CSO of Cresset.
FieldStere V3.0 is available as a desktop application or command line interface on Linux, Windows and now also on Mac machines. Alternatively, FieldStere may be accessed through Cresset's Professional Services Division. A free evaluation is available through the Cresset website.
For further information on FieldStere and the complete range of software and services available from Cresset, please visit www.cresset-group.com, follow Cresset on Twitter (@cressetgroup) or join its LinkedIn group.
About Cresset Group Ltd
Cresset develops software for calculating and comparing the molecular Field characteristics of chemical compounds. Field technology uses the surface properties of molecules to evaluate their activities and properties, rather than relying on 2D structure similarity, which enables Cresset's users to find more interesting, novel and relevant results than other methods. Cresset's Fields provide a smarter, structure independent way of hit-finding, lead switching and lead optimization in drug discovery and other chemistry-based research projects. Cresset's Field technologies have been successfully applied to a very wide range of target classes, with and without structural information, on over 100 projects for major pharmaceutical and biotechnology companies. www.cresset-group.com