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

Optibrium and Lhasa Limited Collaborate to Bring High Level Expert Toxicity Prediction

Published: Friday, February 08, 2013
Last Updated: Thursday, February 07, 2013
Bookmark and Share
New Derek™ module for StarDrop™ facilitates the efficient design and selection of safe, efficacious compounds in early drug discovery.

Optibrium and Lhasa Limited have announced a technology collaboration agreement.

Lhasa’s Derek Nexus™ platform for knowledge-based prediction of compound toxicity will be integrated as an optional plug-in module for Optibrium’s StarDrop software, that guides the design and selection of high quality compounds in drug discovery.

The combination of these technologies will enable chemists to intuitively balance the reduction of toxicity risk with the other requirements for a successful, safe and efficacious drug in hit-to-lead and lead optimization.

An easy-to-use reporting feature will facilitate collaboration between chemists and expert toxicologists to interpret and understand the relevance of a potential liability, enabling effective, early decision-making regarding the prioritization of chemistries early in the drug discovery process.

Toxicity of drug candidates is a major cause of expensive, late-stage failure in pre-clinical and clinical development. Lhasa’s Derek Nexus technology uses data from published and donated (unpublished) sources, including a collaboration agreement with the US Food and Drug Administration, to identify structure-toxicity relationships and alert scientists to the potential for compounds to cause toxicity.

Optibrium’s StarDrop software platform intuitively guides decisions on the design and selection of compounds with a high chance of success against a drug discovery project’s objectives.

StarDrop’s unique probabilistic scoring approach to multi-parameter optimization allows predicted and experimental data to be given appropriate weights when balancing the many requirements for a high quality lead or candidate compound.

These include potency against the therapeutic target(s), selectivity against off-targets, and appropriate absorption, distribution, metabolism, elimination and toxicity (ADMET) properties.

The new Derek Nexus module in StarDrop will provide chemists with a prediction of the likelihood of a compound causing toxicity in over 40 endpoints, including mutagenicity, hepatotoxicity and cardiotoxicity.

Furthermore, the region of a compound triggering an alert will be highlighted using StarDrop’s Glowing Molecule™ visualization, helping to guide the redesign of compounds to avoid the potential toxic liability.

StarDrop’s interactive design capabilities and Glowing Molecule™ visualization guide the exploration of strategies to redesign compounds and improve their overall balance of properties.

Combined with interactive chemical space visualization, R-group analysis and data analysis, StarDrop provides a comprehensive platform for the design and selection of compounds, supported by additional plug-in modules providing: ADME QSAR models; prediction of P450 metabolism; robust generation and validation of QSAR models; 3D structure-activity relationships using Cresset’s Field technology; and rapid exploration of virtual chemistry using medicinal chemistry transformations, precedented bioisostere replacements and virtual library enumeration.

Matthew Segall, CEO of Optibrium, commented, “Prediction of toxicity is a key requirement for our users and a major challenge for the industry. We are very happy to be working with the leading experts in the field of knowledge-based toxicity prediction to bring this state-of-the art technology to our users’ desktops. In addition to this new agreement with Lhasa, our ongoing collaborations with Cresset and Digital Chemistry demonstrate our commitment to provide access to the best computational methods through our user-friendly StarDrop environment. We continue to explore new collaborations with leading groups to further this goal.”

David Watson, CEO of Lhasa, added, “Scientists are under unprecedented pressure to increase efficiency through compound design and selection. We are excited by this collaboration which presents scientists with high level toxicity predictions at an early stage in compound development, in an interface that supports their workflow and enables effective decision-making."

The new Derek Nexus module for StarDrop will be available later this year. For a preview of this exciting new technology integration, please visit Lhasa’s stand (#1228) at the upcoming Society of Toxicology meeting in San Antonio, Texas from March 10 - 14 or Optibrium’s stand (#708) at the American Chemical Society Spring National Meeting in New Orleans, Louisiana from April 7 to 11.


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 2,500+ scientific posters on ePosters
  • More than 3,700+ 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.


Scientific News
Self-Assembling, Biomimetic Membranes May Aid Water Filtration
A synthetic membrane that self assembles and is easily produced may lead to better gas separation, water purification, drug delivery and DNA recognition, according to an international team of researchers.
Study Questions Presence in Blood of Heart-Healthy Molecules from Fish Oil Supplements
A new study from the Perelman School of Medicine at the University of Pennsylvania questions the relevance of fish oil-derived SPMs and their purported anti-inflammatory effects in humans.
New Material Opens Possibilities for Super-Long-Acting Pills
A pH-responsive polymer gel could create swallow able devices, including capsules for ultra-long drug delivery.
Long-sought Discovery Fills in Missing Details of Cell 'Switchboard'
A biomedical breakthrough reveals never-before-seen details of the human body’s cellular switchboard that regulates sensory and hormonal responses.
Tracking Breast Cancer Before it Grows
A team of scientists led by University of Saskatchewan researcher Saroj Kumar is using cutting-edge Canadian Light Source techniques to screen and treat breast cancer at its earliest changes.
Zebrafish Reveal Drugs that may Improve Bone Marrow Transplant
Compounds boost stem cell engraftment; could allow more matches for patients with cancer and blood diseases.
Teeth Reveal Lifetime Exposures to Metals, Toxins
Researchers have identified dental biomarkers to reveal links between early iron exposure and late life brain diseases.
An Innovative Algorithm to Decipher How Drugs Work Inside the Body
Researchers at Columbia University Medical Center (CUMC) have developed a computer algorithm that is helping scientists see how drugs produce pharmacological effects inside the body.
Uncovering the Spread of Bacteria in Pneumonia
Northwestern Medicine scientists have discovered the role a toxin produced by a pneumonia-causing bacterium plays in the spread of infection from the lungs to the bloodstream in hospitalized patients.
Ferring Bets on Bacteriophages to Treat Inflammatory Bowel Disease
Ferring Pharmaceuticals have annoucned that it will collaborate with Intralytix in the latest phase of its early stage development programme for a bacteriophage-based therapy for inflammatory bowel disease (IBD).
SELECTBIO

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
2,500+ scientific and medical posters
A library of 2,500+ scientific videos on LabTube
3,700+ scientific videos
Close
Premium CrownJOIN TECHNOLOGY NETWORKS PREMIUM FREE!