Optibrium, a developer of software and AI solutions for drug discovery, acquired BioPharmics LLC, a move that will expand its 3D drug design and modelling offering. BioPharmics’ CEO, Ajay Jain, and director of applied science, Ann Cleves, join Optibrium, respectively focusing on R&D and application science in the newly created BioPharmics Division.

BioPharmics has developed a series of algorithms and software for 3D ligand-based and structure-based computational drug design, including software for 2D to 3D ligand conversion and conformer generation (ForceGen), molecular docking (Surflex-Dock), molecular similarity (eSim), and binding affinity prediction (QuanSA).

The acquisition adds technology for 3D ligand- and structure-based design into Optibrium’s StarDrop platform for small molecule design, optimization, and data analysis, complementing its range of artificial intelligence, de novo design, and in silico modelling software. The deal follows a long-standing collaboration between the two companies, including partnering on the development of the Surflex eSim3D StarDrop module.

Jain and Cleves will continue the research and application of novel methods to extend the application of 3D modelling to traditional small molecules, as well as to beyond Rule-of-Five compounds that are becoming increasingly prevalent in drug discovery.
 
Jain said, “We have always been impressed by Optibrium’s focus on scientific rigor, and we firmly believe that there is no better team to continue the powerful software developments that BioPharmics has introduced over the years. I look forward to working as part of the Optibrium team to expand their internal expertise in 3D drug design, as well as on future drug discovery innovations.”

Cleves said, “We have enjoyed working with Optibrium over the years, and the high levels of mutual respect for the scientific expertise from each side of the partnership has enabled this next step. I am excited to see the new products and ground-breaking science that we will deliver together.”