Corporate Banner
Satellite Banner
ADME Tox
Scientific Community
 
Become a Member | Sign in
Home>News>This Article
  News
Return

Optibrium and Digital Chemistry Announce Technology Collaboration

Published: Friday, December 14, 2012
Last Updated: Friday, December 14, 2012
Bookmark and Share
Integration of bioisostere database with automatic application and prioritisation will guide the identification of successful, novel, high quality compounds in drug discovery.

Optibrium and Digital Chemistry announced an agreement to collaborate on the integration of Digital Chemistry’s unique BIOSTER™ database of precedented bioisostere replacements with Optibrium’s StarDrop™ software suite. This combination will allow drug discovery teams to quickly identify novel, high quality compounds based on the BIOSTER molecular transformations and prioritise these within StarDrop’s intuitive environment that guides the design and selection of compounds with an optimal balance of properties.

The BIOSTER database contains over 25,000 bioisostere replacements, hand-curated from the literature by Dr István Ujváry and is distributed exclusively by Digital Chemistry. As part of the collaboration with Optibrium, the BIOSTER database will be converted into transformations that can be applied in StarDrop’s Nova™ module, which automatically generates new, chemically relevant compound structures to stimulate the search for high quality chemistry related to initial hit or lead compounds. The combined functionality of Nova and BIOSTER will allow for the application of this comprehensive database of precedented bioisostere replacements to generate novel structures with a high likelihood of biological activity and synthetic accessibility. StarDrop’s unique capabilities for multi-parameter optimisation and predictive modelling will allow efficient prioritisation of the resulting compound ideas to identify those with the best chance of achieving the property profile required for a successful drug.

The applications of these technologies extend throughout the drug discovery process, including the rigorous exploration of chemistries around early hits, scaffold hopping to overcome issues with a lead series or to identify diverse back-up series and protection of patent space around a candidate drug.

Matthew Segall, CEO of Optibrium commented, “We are very pleased to announce our collaboration with Digital Chemistry. This furthers our on-going strategy to work with other leading developers of informatics solutions in drug discovery to provide project teams with seamless access to the best technologies to guide the efficient discovery of novel, high quality drugs.”

Julian Hayward, Managing Director of Digital Chemistry added, “The deployment of BIOSTER data within a predictive software environment fulfils a long-held ambition to enhance the usefulness of this uniquely valuable database for the discovery of novel active compounds. The ability to generate highly focused libraries of both ‘obvious’ and ‘non-obvious’ drug candidates in this manner, will, no doubt, be a welcome addition to the armoury of drug discovery tools.”

István Ujváry, Managing Director of iKem and developer of BIOSTER, concluded: “Since its conception two decades ago, BIOSTER has strived to analyse and catalogue historically documented fragment replacement strategies to assist medicinal and pesticide chemists in their quest for new bioactive molecules. The sophisticated Nova module of Optibrium’s StarDrop software suite offers an exciting new tool for navigation through the chemical space of sets of bioisosteric and other transformations of this unique database. I am certain that the collaboration between Optibrium and Digital Chemistry will result in a versatile and popular new product.”

The results of this collaboration will be available in a future version of StarDrop, expected to be released during 2013.


Further Information

Join For Free

Access to this exclusive content is for Technology Networks Premium members only.

Join Technology Networks Premium for free access to:

  • Exclusive articles
  • Presentations from international conferences
  • Over 3,500+ scientific posters on ePosters
  • More than 5,000+ scientific videos on LabTube
  • 35 community eNewsletters


Sign In



Forgotten your details? Click Here
If you are not a member you can join here

*Please note: By logging into TechnologyNetworks.com you agree to accept the use of cookies. To find out more about the cookies we use and how to delete them, see our privacy policy.

Related Content

Optibrium, The Edge Collaborate on Integration of StarDrop with BioRails
The combination provides an enterprise platform for comprehensive data management, analysis and compound design in drug discovery.
Tuesday, September 20, 2016
BioSolveIT and Optibrium Sign Collaboration Agreement
Partnership will deliver a link between 2D and 3D design on medicinal chemists’ desktops.
Tuesday, October 20, 2015
Optibrium Joins HeCaToS Project and Expands R&D Team
The Hepatic and Cardiac Toxicity Systems project is a major European project with the objective to efficiently investigate the health impact of compounds on the heart and liver.
Tuesday, October 08, 2013
Optibrium and Cresset Announce Technology Collaboration
Technology exchange combines unique methods for design of novel, high quality compounds in drug discovery.
Thursday, January 05, 2012
Scientific News
Charles River Acquires Agilux
Enhances Charles River’s early-stage capabilities in bioanalytical services.
Adipose Tissue Secretes Factors That Activate Metabolism
Study finds brown adipose tissue secretes signalling factors that activates metabolism of fat and carbohydrates.
Insight into Eye Diseases
Scientists recreate zebrafish cell regeneration from retinal stem cells in mice.
Developing Novel Ear Infection Treatments
Research team engineers antibiotic gel for treating middle ear infections.
Iron Nanoparticles Make Immune Cells Attack Cancer
Researchers accidentally discover that nanoparticles invented for anemia treatment can trigger the immune system’s ability to destroy tumor cells.
Stem Cell ‘Heart Patch’ Almost Perfected
Scientists aiming to perfect and test 3D "heart patches" in animal model, last hurdle before human patients.
Fighting Cancer with Sticky Nanoparticles
Treatment that uses bioadhesive nanoparticles drug carriers proved more effective than conventional treatments for certain cancers.
Smart Material Hunts Cancers
Team has created smart material that locates and images cancer or tumour sites in tissue.
Targeting Fat to Treat Cancer
Researchers develop novel cancer treatment that halts fat synthesis in cells, stunting tumors.
Reprogramming Lymph Nodes to Fight MS
Bioengineers work to reprogram lymph node function to fight multiple sclerosis.
SELECTBIO

SELECTBIO Market Reports
Go to LabTube
Go to eposters
 
Access to the latest scientific news
Exclusive articles
Upload and share your posters on ePosters
Latest presentations and webinars
View a library of 1,800+ scientific and medical posters
3,500+ scientific and medical posters
A library of 2,500+ scientific videos on LabTube
5,000+ scientific videos
Close
Premium CrownJOIN TECHNOLOGY NETWORKS PREMIUM FOR FREE!