Optibrium releases 3D design module for drug discovery software


This expansion is a result of a collaboration between BioPharmics and Optibrium

Optibrium, a developer of software for drug discovery, has announced released the latest version of StarDrop, its software platform for small molecule design, optimisation and data analysis. Version 7.1 further expands the platform’s 3D ligand-based design capabilities, providing access to performance-focused methods for virtual screening and compound design in discovery projects where little or no structural information on targets is available.

This expansion is a result of a collaboration between BioPharmics and Optibrium. Developed by BioPharmics, the tools for comparisons of electrostatic fields with molecular surface-shapes and directional hydrogen-bonding preferences (eSim) and conformational search (ForceGen) will be available to Optibrium’s user base.

Available as an optional module, Surflex eSim3D integrates with StarDrop’s compound optimisation and data analysis capabilities, helping to target high-quality compounds with a balance of activities and key absorption, distribution, metabolism, excretion and toxicity (ADMET) properties, the companies say.

Dr Peter Hunt, Director of Computational Chemistry at Optibrium, said: “The launch of StarDrop 7.1 further demonstrates our ongoing commitment to providing best-in-class technologies across a comprehensive range of in silico modelling and compound design capabilities. It is a privilege to work with BioPharmics, one of the industry leaders in the 3D computational drug discovery solution space. We are proud to provide the unsurpassed accuracy and performance of BioPharmics’ cutting-edge ligand-based design methods to our StarDrop user community.”

Dr Ajay N. Jain, Founder and CEO of BioPharmics, said: “The BioPharmics team is excited to see our expert-focused computational tools become available to a broadened user group in StarDrop’s highly intuitive user interface. Our technology has repeatedly demonstrated its transformational impact on our customers’ discovery efforts, and widening access allows us to scale the value we bring to our customers.”

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Dr Ann E. Cleves, Director of Applied Science at BioPharmics, added: “We are delighted by the release of the eSim technology integrated within the StarDrop platform. We believe that medicinal chemists will find the interface to be elegant and user-friendly, making the process of molecular design using state-of-the-art 3D computations a naturally interactive experience.”