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 4,000+ scientific posters on ePosters
  • More than 5,300+ 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
Blood-brain Barrier on a Chip
Researchers from Vanderbilt University have developed a microfluidic device to study the blood-brain barrier.
Immune-Cell Traps May Aid Cancer Metastasis
Study suggests cancer cells can induce neutrophils to release traps which the cells use to capture pathogens.
Gene-Editing Improves Vision in Blind Rats
Scientists developed a targeted gene-replacement technique that can modify genes in both dividing and non-dividing cells in living animals.
Inspiring Futuristic Innovation: Brain ‘Organoids’
Scientists create artificial brains, providing an advanced model for studying brain tumour development.
Parkinson's Disease Linked to Microbiome
Scientists have discovered a link between intestinal bacteria and Parkinson's disease.
Making Personalized Medicine a Reality
Groundbreaking technique developed at McMaster University is helping to pave the way for advances in personalized medicine.
Top 10 Life Science Innovations of 2016
2016 has seen the release of some truly innovative products. To help you digest these developments, The Scientist have listed their top picks for the year.
Possible Treatment for Rare Vascular Disease
Researchers manage to reverse hereditary haemorrhagic telangiectasia in mice, if successful in humans it could lead to improved treatment for the disease.
Cracking the Code of a Deadly Virus
Researchers have exploited weaknesses in VEEV's genetic code, creating a far less deadly variant.
New Compound to Reduce Tumor Growth
Researchers at Stanford found that a new cell surface receptor they created is effective at inhibiting cancer growth in mice.
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
4,000+ scientific and medical posters
A library of 2,500+ scientific videos on LabTube
5,300+ scientific videos
Close
Premium CrownJOIN TECHNOLOGY NETWORKS PREMIUM FOR FREE!