Cresset Group Release: torchV10 Chosen to Add Value to Enzyme Engineering
Published: Nov 20, 2012
“The decision of Es-is, an enzyme design company, to work with torchV10 demonstrates the flexibility of our products and the value and insight that they bring to researchers working outside our core base of small molecule drug design,” says Dr David Bardsley, Cresset’s Sales Director.
Dr Amit Kessel, Head of Computational R&D at Es-is says, “We are excited about using torchV10 for the rational engineering of enzymes. We design novel enzyme-based syntheses for active ingredients in pharmaceutical drugs and our computational design process relies on a rational approach. torchV10 will provide us with valuable information about enzyme-substrate electrostatic interactions, helping us to streamline our processes.”
Dr Bardsley adds, “Cresset’s software works at the meeting point of chemistry and biology, giving chemists a way of understanding their molecules in terms of biological activity. Cresset’s technology and services are providing companies with the right information, wherever they sit in the drug design workflow.”
torchV10 is a powerful molecule design and 3D SAR tool for medicinal chemists. Use it to take leaps in compound design while maintaining or improving biological activity. Compare actives and inactives from multiple series, gathering the best from each. Employ this knowledge in the next design iteration using the in-built molecular editor for immediate feedback.
• Perfect the design of new lead compounds, exploring a range of lead optimization ideas.
• Get the most from your lab time by prioritizing compounds for synthesis.
• Design focused libraries for synthesis or initial screening.
• View ADME profiles and off-target activity prediction on all designs.
For further information on the complete range of software and services available from Cresset, please visit www.cresset-group.com, follow Cresset on Twitter (@cressetgroup) or join their 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. For further details visit www.cresset-group.com.
About Es-is Technologies Ltd
Es-is was created to harness the power of computing for developing biocatalytic processes that are faster, better, and less costly. The company develops novel enzyme-based syntheses for the production of advanced pharmaceutical ingredients of high quality based on its proprietary EnzyMatrix system. Es-is works with leading, enterprising companies in the pharmaceutical market to facilitate the introduction of clean chemo-enzymatic processes to replace the chemical production of drugs which consumes excess resources and increases pollution. For further details visit www.es-is.com.