Corporate Banner
Satellite Banner
Scientific Communities
Become a Member | Sign in
Home>News>This Article

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
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 2,800+ scientific posters on ePosters
  • More Than 4,000+ 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 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

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 Appoints Head of North American Operations to Support Growing Demand
Appointment marks the opening of new office in Cambridge, MA.
Thursday, September 03, 2015
Optibrium and Certara Collaborate
Collaboration will see integration of Optibrium’s StarDrop and Certera’s D360 platform.
Tuesday, April 21, 2015
Optibrium and ChemAxon Collaborate
Interface between StarDrop and Plexus facilitates seamless access to both software platforms.
Wednesday, April 15, 2015
Optibrium and NextMove Software Announce Technology Collaboration
Automatic application of Matsy method for matched series analysis within StarDrop™ will guide compound optimization in drug discovery.
Friday, January 16, 2015
Optibrium Appoints Director of Computational Chemistry
Appointment of Dr Peter Hunt represents part of further growth across all areas of its business.
Tuesday, April 29, 2014
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 AstraZeneca Sign Licensing Agreement
AstraZeneca’s researchers select StarDrop Software from Optibrium to guide successful drug discovery.
Tuesday, July 02, 2013
Optibrium Goes from Strength to Strength as Global Customer Base Continues to Grow
Company celebrates growth in all areas of the company as it enters its fourth year of business.
Friday, September 21, 2012
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
Optibrium to Preview New In Silico Drug Discovery Platform at Molecular Med Tri-Conference 2011
The exclusive preview of StarDrop™ will be available on booth #501, at San Francisco’s Moscone North Convention Centre.
Thursday, February 17, 2011
Optibrium Showcases StarVue at ACS Spring 2010
Offering an Innovative Free Way to Explore Compound Data for Drug Discovery
Thursday, February 18, 2010
Optibrium Launches Online Community for Drug Optimisation
Optibrium today announces the launch of its online community. This provides a rich environment for users of its StarDrop software to interact and gain even more value from this unique platform to guide compound design and selection decisions in drug discovery.
Monday, November 23, 2009
Scientific News
High Throughput Mass Spectrometry-Based Screening Assay Trends
Dr John Comley provides an insight into HT MS-based screening with a focus on future user requirements and preferences.
How a Genetic Locus Protects Adult Blood-Forming Stem Cells
Mammalian imprinted Gtl2 protects adult hematopoietic stem cells by restricting metabolic activity in the cells' mitochondria.
Genetic Basis of Fatal Flu Side Effect Discovered
A group of people with fatal H1N1 flu died after their viral infections triggered a deadly hyperinflammatory disorder in susceptible individuals with gene mutations linked to the overactive immune response, according to a recent study.
New Tech Vastly Improves CRISPR/Cas9 Accuracy
A new CRISPR/Cas9 technology developed by scientists at UMass Medical School is precise enough to surgically edit DNA at nearly any genomic location, while avoiding potentially harmful off-target changes typically seen in standard CRISPR gene editing techniques.
The MaxSignal Colistin ELISA Test Kit from Bioo Scientific
Kit can help prevent the antibiotic apocalypse by keeping last resort drugs out of the food supply.
"Good" Mozzie Virus Might Hold Key to Fighting Human Disease
Australian scientists have discovered a new virus carried by one of the country’s most common pest mosquitoes.
Non-Disease Proteins Kill Brain Cells
Scientists at the forefront of cutting-edge research into neurodegenerative diseases such as Alzheimer’s and Parkinson’s have shown that the mere presence of protein aggregates may be as important as their form and identity in inducing cell death in brain tissue.
Closing the Loop on an HIV Escape Mechanism
Research team finds that protein motions regulate virus infectivity.
New Class of RNA Tumor Suppressors Identified
Two short, “housekeeping” RNA molecules block cancer growth by binding to an important cancer-associated protein called KRAS. More than a quarter of all human cancers are missing these RNAs.
Potential Treatment for Life-Threatening Viral Infections Revealed
The findings point to new therapies for Dengue, West Nile and Ebola.
Scroll Up
Scroll Down
Skyscraper Banner

Skyscraper Banner
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
2,800+ scientific and medical posters
A library of 2,500+ scientific videos on LabTube
4,000+ scientific videos