“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-