Optibrium adds a 3D ligand-based design module to its chemistry software
The latest version of Optibrium’s StarDrop software helps scientists target high-quality compounds faster due to a collaboration with BioPharmics and the integration of its eSim and ForceGen software.
This development is a result of the recently announced collaboration between BioPharmics and Optibrium. BioPharmics have developed tools for comparisons of electrostatic fields with molecular surface-shapes and directional hydrogen-bonding preferences (eSim) and conformational search (ForceGen) which are being made directly available to Optibrium’s global user base. This gives computational and experimental chemists the opportunity to make use of expert 3D design tools.
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.’
Available as an optional module, Surflex eSim3D seamlessly integrates with StarDrop’s compound optimisation and data analysis capabilities, helping to target high-quality compounds with an optimal balance of activities and key absorption, distribution, metabolism, excretion and toxicity (ADMET) properties quickly and confidently, leading to better compounds faster.
Dr Ajay N. Jain, Founder and CEO of BioPharmics, stated: ‘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.’
StarDrop is used by more than 160 organisations worldwide, including many of the top global pharmaceutical companies. The release of StarDrop 7.1 further expands the platform’s 3D ligand-based design capabilities, providing access to high-performance methods for virtual screening and intuitive compound design in discovery projects where little or no structural information on targets is available.
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.’