MOLECULAR design on the desktop is the promise of TorchV10, described as a next-generation software tool for medicinal chemists. Offering molecule design and 3D SAR (structure-activity relationship) modelling, the package allows molecule properties to be visualised and modified easily, says Cresset.
Through the use of molecular fields, TorchV10 shows the binding patterns of compounds in what Cresset calls a ‘protein’s eye view’. This will give clear insights into the causes of biological activity, it says.
This enables chemists to see how to optimise the shape and electrostatic properties of a chemical series, and therefore identify the best next molecule in that series to synthesise.
“We believe molecular fields are the most intuitive way of assessing biological activity, and would like every chemist to access the power of fields so that they can truly understand the mechanisms by which their leads interact with targets” said Cresset CEO Dr Robert Scoffin.
Cresset is offering a free introductory webinar on TorchV10.