Optibrium™, a developer of software for drug discovery, today announced the launch of version 6.5 of StarDrop™ that provides a complete platform for small molecule design, optimisation and data analysis. The latest release introduces WhichP450, a new feature in StarDrop’s P450 metabolism module that predicts which human Cytochrome P450 enzymes are the major metabolising isoforms for a novel compound. Understanding how a compound is metabolised enables identification and analysis of its potential metabolites, and guides the design of molecules with a reduced risk of drug-drug interactions or variations in exposure across the patient population.
Also included in the latest version of StarDrop is novel R-group clipping functionality that quickly transforms chemical building blocks into their corresponding substituents for enumeration of virtual libraries and the exploration of new compound ideas. Associated data, such as inventory and cost for each building block, are linked with the enumerated compounds to facilitate ordering for synthesis of the best compounds.
The new features are introduced in parallel with an enhanced data visualisation environment offering more chart types, additional formatting options and a streamlined user interface, enabling publication-quality graphics to be created in just a few clicks. This is teamed with a new ‘dashboard’ capability, combining multiple interactive plots in a configurable project view, enabling scientists, team leaders and managers to track the progress of a project at a glance.
Dr Matthew Segall, Optibrium’s CEO, commented: “We continue to invest in leading-edge research to bring the latest modelling approaches to our users in an intuitive interface. StarDrop’s enhanced capabilities ensure that scientists can quickly understand structure-activity relationships, identify potential liabilities and design new compounds with the highest chance of success. This leads to better decisions and shorter project timelines.”