Newsletter - March 2017
3D Modelling for the Masses
Last year we launched the SeeSAR™ module for StarDrop™, to provide a state-of-the-art and scientifically rigorous approach to understanding the 3D binding of compounds to their protein targets. Developed in collaboration with BioSolveIT, the module enables you to easily visualise 3D ligand and protein structures and identify the key interactions driving binding affinity. At the Spring ACS Meeting in San Francisco we will be previewing StarDrop’s new, universal Pose Generation Interface, which will enable you to run expertly prepared docking and 3D alignment models, on a variety of platforms, directly from StarDrop.
This seamless link with StarDrop’s comprehensive environment for data visualisation, analysis and predictive modelling will enable medicinal chemists to evaluate multiple iterations of designs on-the-fly in 3D models, quickly understand structure-activity relationships and design new compounds with the highest chance of success.
To find out more, get in touch and we will be happy to arrange a demo. Alternatively, if you are attending the ACS Spring meeting visit our booth #1420 for a preview or attend our joint hands-on workshop with BioSolveIT, "Seamless Integration of 2D and 3D SAR to Guide Multi-parameter Optimisation", you can register and find out more here.
Optibrium has been supporting the development of new treatments for neglected diseases via a Global Health Programme for the last two years and on March 29th we will be joining our colleagues at Collaborative Drug Discovery for a webinar featuring Dr. Chris Cooper (TB Alliance) and Dr. Matt Segall (Optibrium). During this, they will discuss different approaches being applied to achieve better outcomes in neglected disease research. Registration for this event is now open, please see the link below.
We will also be co-hosting two more international scientific symposia in our "Streamlining Drug Discovery" series. The next events will be held in San Diego in April and Cambridge, UK in May. Further details about our speakers can be found below, where you can also register to attend.
Finally, we’re very pleased to welcome new members to our team. Coran Hoskin and Aishling Cooke are the latest members to join our software development team and Mario Öeren is working in our computational chemistry group on new models of drug metabolism.
Read on to discover our latest papers and presentations and find out where you can meet us at upcoming events.
Optibrium's drug constellations provide an instant, visual summary of important small-molecule drugs for a therapeutic class or indication. Ten drugs for each indication are mapped across the 'chemical space' of all marketed drugs. A summary of key data is provided for each compound, along with an assessment of its pharmacokinetic properties against a profile of criteria that is relevant to the therapeutic indication.
There are currently two constellations in the series; the latest describes important drugs for neglected diseases, selected from the set of reference drugs published with the Pathogen Box. The previous Drug Constellation covers the top-10 cardiovascular drugs of 2015.
If you would like a copy of either constellation or their supporting information visit here.
Webinar: Make Better Drug Discovery Decisions through Collaborative Analytics
On March 29, at 9am (PDT) our partners Collaborative Drug Discovery are hosting a webinar in which Dr Chris Cooper (TB Alliance) and Dr. Matt Segall (Optibrium) will discuss different approaches being applied to achieve better outcomes in neglected disease research. They will share their successes in fostering better collaborative dynamics, and discuss the use of technologies aiding visualization and data analytics.To attend this event, register here...
Symposia on Streamlining Drug Discovery:
Join us for the next in our series of free one-day symposia highlighting new approaches and technologies being applied to the search for future therapeutics. Our next meeting, organised in collaboration with BioSolveIT, Lhasa Ltd and Takeda California, will be held on April 21, 2017 in San Diego.
These days are aimed at scientists from biotechnology, pharmaceutical organizations, not-for-profits and academia who wish to get a broad appreciation of the latest advances in drug discovery, delivered by key scientists and thought leaders from leading organizations.
We are delighted to announce some of the high-profile scientists who will present at the event in San Diego, including:
Practical Applications of Matched Series Analysis
Our latest paper, co-authored with our colleagues at NextMove Software, has just appeared in Future Med. Chem. and explores applications of Nova’s Matched Series Analysis to SAR transfer, binding mode suggestion, and data point validation.
You can download a preprint from the Optibrium Community.
Where to meet us
We’ll be attending and presenting at several conferences in the coming months. We hope that we’ll see you there:
- 2nd – 6th April 2017, ACS Spring 2017 National Meeting & Exposition, San Francisco, CA, USA
• Data visualisation: Saying it all in a bite-sized chunk – Ed Champness. April 3, 10:35 AM CINF
• Confidently targeting high quality hits from high-throughput screening – Matt Segall. April 3, 10:35 AM CINF
• Workshop: Seamless Integration of 2D and 3D SAR to Guide Multi-parameter Optimisation. April, 3, 2107, 3:30 PM, Hall B, Workshop Room 1
• Combining quantum and QSAR methods for prediction of acid dissociation constants - Layla Hosseini-Gerami. April 4, 3:25 PM COMP
• Poster: Generic interface streamlines access to results from expertly prepared 3D models – Fayzan Ahmed. April 4, 6:00 PM - 8:00 PM COMP
• Supporting compound optimisation in not-for-profit and academic research – Matt Segall. April 5, 3:25 PM CINF
- 21st April 2017, Symposium on Streamlining Drug Discovery, San Diego, CA, USA
- 23rd – 27th April 2017, Drug Discovery Chemistry, San Diego, CA, USA
- 18th May 2017, Symposium on Streamlining Drug Discovery, Cambridge UK
- 23rd – 25th May 2017, Bio-IT World and Expo, Boston, MA, USA
- 12th - 16th June 2017, World Preclinical Congress, Boston, MA, USA
- 5th – 7th July 2017, RICT 2017, Toulouse, France
If you're attending any of these events, it would be great to catch up with you between sessions.