Discngine announces that Sosei Heptares will use its 3decision® software to create an unprecedented structural GPCR chemogenomics platform
3decision® will enable Sosei Heptares to combine public and proprietary structural data and derive unique GPCR structural insights.
Discngine, a software company specializing in developing applications for life sciences research, announces today that Sosei Heptares, an international biopharmaceutical group focused on G protein-coupled receptors (GPCRs), has selected its 3decision® software to be part of an unprecedented structural GPCR chemogenomics platform.
Sosei Heptares will use 3decision® to unify the public Protein Data Bank (PDB) structures with internal unpublished GPCR structures used for structure-based drug discovery, thus allowing Sosei Heptares to combine the wealth of its unique structural information, sequence information and knowledge of chemical ligand space in GPCRs.
3decision® will enable Sosei Heptares scientists to more efficiently derive unprecedented structural GPCR insights from the structural data at hand. This knowledge will directly benefit the internal Structure-Based Drug Design (SBDD) projects and help to further reinforce Sosei Heptares’ strong expertise in GPCR structural cheminformatics.
In addition, 3decision will make it easier for Sosei Heptares to combine the unique structural information with GPCR modelling, cheminformatics capabilities, mutagenesis data and the information provided by its StaR® (Stabilized Receptor) technology. For example, 3decision will allow Sosei Heptares to easily visualize and analyze mutagenesis data in 3D, via a web-accessible front-end.
3decision® is a structural analytics platform that through its web-based interface transforms data coming from 3D structures, biomolecular sequences and other metadata into structural knowledge . Both experts and non-experts can search structural motifs, similar sequences and pockets, and quickly test hypotheses. As 3decision allows them to share observations throughout the entire process, it narrows the gap between computational chemists, medicinal chemists, structural biologists and protein engineers – bringing structural data analytics to the whole team.
Collaborating with Discngine and integrating our unique GPCR structural information in 3decision®, will allow us to reveal unprecedented SBDD opportunities across the GPCRome. We expect 3decision to make the combined analysis of experimentally derived structural information and in silico predictions more efficient within our SBDD projects.
– Chris de Graaf, Director and Head of Computational Chemistry at Sosei Heptares.
Sosei Heptares is a well-known actor in the GPCR world with an excellent scientific reputation. They are continuously sharing new structural insights and unique GPCR X-ray structures with the global community and thereby increasing the overall knowledge of GPCRs. We are very honored to be working together and providing Sosei Heptares with our software solutions. Discngine and Sosei Heptares will work closely together to fine-tune 3decision to leverage mutagenesis-data analytics. This collaboration will add even more value to our software solutions.
– Peter Schmidtke, 3decision’s Product Manager at Discngine
3decision’s technology started out as a co-development with Abbvie. It was launched by Discngine as a commercial product in 2018. It received an Innovative Practices Award at BioIT World 2019.
About Sosei Heptares
Sosei Heptares is an international biopharmaceutical group focused on the design and early development of new medicines originating from its proprietary GPCR-targeted StaR® technology and Structure-Based Drug Design (SBDD) platform capabilities. It is advancing a broad and deep pipeline of partnered and in-house drug candidates in multiple therapeutic areas including neurology, immuno-oncology, gastroenterology, inflammation and rare/specialty diseases.
