Torch Chosen to Add Value to Enzyme Engineering

Welwyn Garden City, UK – 20th November 2012 – Cresset, innovative provider of chemistry software and services, announces that Es-is Technologies Ltd has chosen to license Torch for use in enzyme engineering. Torch is Cresset’s desktop molecular design software, widely used by medicinal chemists for drug design.

“The decision of Es-is, an enzyme design company, to work with Torch demonstrates the flexibility of our products and the value and insight that they bring to researchers working outside our core base of small molecule drug design,” says Dr David Bardsley, Cresset’s Sales Director.

Dr Amit Kessel, Head of Computational R&D at Es-is says, “We are excited about using torchV10 for the rational engineering of enzymes. We design novel enzyme-based syntheses for active ingredients in pharmaceutical drugs and our computational design process relies on a rational approach. Torch will provide us with valuable information about enzyme-substrate electrostatic interactions, helping us to streamline our processes.”

Dr Bardsley adds, “Cresset’s software works at the meeting point of chemistry and biology, giving chemists a way of understanding their molecules in terms of biological activity. Cresset’s technology and services are providing companies with the right information, wherever they sit in the drug design workflow.”

August 2012 Newsletter

Meet us in Philadelphia, Vienna and Berlin

Drop by the Cresset booth and meet with our experts at the ACS Fall Expo, EuroQSAR or EFMC-ISMC events. If you’d like to make a specific appointment to meet with us (we’ll be busy presenting throughout these events) contact us to arrange a mutually convenient time.

ACS Fall Expo

Visit us on booth 409 at the ACS Fall Expo, Philadelphia 19-23 August. We’re presenting on:

> Computation Tools for Medicinal Chemists: Increasing the Dimensions of Drug Discovery

> Identifying Novel Bioisosteres

> Disruptive Technology for Chemical Patent Fortification

> Optimising your Leads for Potency AND Drug-Likeness – How to Have It All (at Optibrium’s StarDrop User Group and Workshop)

Times, locations and free registration code here…

EuroQSAR and EFMC-ISMC

We hope to see you at the following events in Europe:

> 26-30 August: EuroQSAR, Vienna, Austria Mark Mackey, our CSO, will be on booth 5 and presenting a poster on 3D QSAR Why be Square?

> 1-6 September: EFMC ISMC, Berlin, Germany Tim Cheeseright (Director of Products) and David Bardsley (Director of Sales), will be on booth 36 and presenting a poster on Rapid Technique for New Scaffold Generation.

Full details of all upcoming events here…

Virtual Screening with Forge

The release of Forge has enabled new workflows for desktop users. Find out about work we have undertaken as part of a grant from the UKs Technology Strategy Board (TSB).

Read about new desktop workflows here…

Forge 25% Offer Ends Soon

Our introductory offer of 25% of Forge, the powerful new computational suite to understand SAR and design, ends on 31 August.

Further details of introductory offer here…

June 2012 Newsletter

Last Chance to Register for our Scientific Meeting

Continuing our series of scientific meetings we hope you will join us in Cambridge, UK on June 20th – 21st. You can attend all, or part, of the meeting. Training sessions are tailored to the needs of computational and medicinal chemists and will focus on Cresset’s exciting new products. The scientific session includes presentations from Novartis, Heptares, University of Southampton amongst others as well as Cresset’s scientific experts. This popular event always fills up, so ensure you check out the agenda and register soon to secure your place.


25% Off Forge

As an introductory offer to Forge we’re offering 25% off the list price for all purchase orders received by 31st August.

Don’t delay, get Forge today!

For full details of 25% off Forge click here…


Forge Training

Due to popular demand we’ve added more dates for the FREE Forge training webinar. This is aimed at both medicinal and computational chemists and is the ideal opportunity for you to learn all about Forge from our scientific experts.

Register for a FREE forgeV10 training webinar here…


Forge Command Lines

Following excellent feedback from the Forge release last month we’re now preparing to release the corresponding command line binaries. This will be available for release in late June or early July, in the meantime we have a sneak peek for you to check out.

For a sneak peek click here…


Fields at Warp Speed

Graphics processing units (GPUs) are changing high performance computing infrastructure. Cresset has been working to implement our code on this exciting new hardware in a way that can benefit both high performance and desktop applications. Find out how we are doing and sign up for a trial in this article.

To find out more click here…

Isogenica, Cresset Group and Biolauncher Secure Funding from UK’s Technology Strategy Board for a £1M project to Develop New Small Molecule Drug Platform

Welwyn Garden City, UK – 06 June 2012 – Cresset, Welwyn Garden City UK, innovative provider of software and services together with Isogenica and Biolauncher, Cambridge UK, announce funding from the Technology Strategy Board, the UK’s innovation agency, for a £1M project to develop a highly-scalable approach to small molecule drug discovery.

The funding enables the consortium to develop an integrated platform to identify diverse small molecules active against drug targets using very large peptide libraries to explore chemical space. The consortia’s objective is to demonstrate that this platform provides a new scalable approach to the early stage drug discovery challenges that is rapid, cost effective and applicable to intracellular, extracellular and membrane bound drug targets.

The process will use Isogenica’s libraries to select a population of diverse binding peptides against a biological target. These peptides will be analysed using novel structural bioinformatics already developed by Biolauncher to identify their active conformation. This three-dimensional template will be used to generate a field based pharmacophore that Cresset will use to identify small molecule drug-like medicinal chemistry starting points. Individually the component technologies have been used in over 170 drug discovery projects to date.

“The diversity of the chemical libraries in corporate collections can be quite limited and so the percentage of chemical space represented is small. Isogenica’s peptide libraries are designed to be structurally very diverse and sample a much greater volume of chemical space. Also, in addition to acting as a structural template, there is a high probability of finding binding peptides which have immediate utility as reagents for probing the target biology and supporting the drug development process” commented Rowan Gardner, who is leading the consortia’s Business Development activity.

“By working with diverse populations of binding peptides it is possible to determine which residues are contributing to the binding and infer their active conformations. Coupling Isogenica’s massive screening libraries with Cresset’s small molecule bioisostere discovery tools offer the possibility to bridge biologics directly into small molecule chemistry” added Kevin Mathews, CEO of Isogenica.

For more information about Isogenica please visit www.isogenica.com.

For more information about Biolauncher please visit www.biolauncher.com.

For more information about the Technology Strategy Board please visit www.innovateuk.org.

For more information about Cresset’s software and service solutions please visit cresset-group.com.

Cresset and Optibrium Announce Technology Collaboration

Cambridge and Welwyn Garden City, UK, (January 4th, 2012) – Innovative software and services provider Cresset, and  Optibrium, a provider of software solutions for drug discovery, today announce an agreement to collaborate on the development of next-generation platforms. The innovative companies will work together, combining unique approaches to help drug discovery projects quickly identify novel, potent compounds with a high chance of success downstream.

The collaboration will involve a two-way exchange of technologies: Optibrium’s ADME[1] models, currently provided as a plug-in module for its StarDrop™ software platform, will be made available to users of Cresset’s desktop applications. Similarly, Cresset’s FieldAlign™ software, which helps chemists understand the three-dimensional structure-activity-relationship of their chemistry in order to design active compounds, will be made available as an optional plug-in module for StarDrop, which helps project teams to confidently target compounds with a good balance of properties for their therapeutic objectives.

Achieving a combination of potency with appropriate ADME and safety properties is essential to the discovery of high quality drug candidates. Cresset’s molecular field technology provides unique insight into the biological activity, properties and interactions of molecules, which enables biologically meaningful comparisons that are not limited by two-dimensional structure.  Optibrium’s StarDrop platform helps to guide decisions on the design and selection of compounds by integrating in silico and experimentally measured properties using a unique multi-parameter optimisation approach, chemical space and Glowing Molecule™ visualisations and predictive modelling.

Dr. Matthew Segall, CEO of Optibrium, said, “We are very happy to be working with the team at Cresset. This collaboration furthers our aim to deliver leading edge in silico technologies directly to the desktop of all drug discovery scientists through StarDrop’s user friendly, interactive interface. The new FieldAlign module in StarDrop will bring a powerful 3D view of compound interactions that will complement StarDrop’s existing 2D QSAR models.”

Dr. Robert Scoffin, CEO of Cresset, added “This collaboration is an excellent opportunity for two companies to combine talents and technologies in order to offer a better product to our combined customers. This highlights the power of bringing together complementary technologies from leading-edge companies to better address problems in Drug Discovery.”

The technology shared under this collaboration will form new components in upcoming releases of Optibrium’s StarDrop and Cresset’s desktop applications. Full details of these exciting new developments will be announced soon.

For more information about StarDrop and Optibrium’s software solutions please visit Optibrium’s website, alternatively please call +44 (0) 1223 815 900 or email Optibrium.

For more information about Cresset’s software and service solutions please visit Cressest’s website, alternatively email Cresset.

 


[1] Absorption, Distribution, Metabolism and Elimination

Cresset Announces the Release of FieldStere V3.0

Welwyn Garden City, UK (1st Nov 2011) Cresset is pleased to announce the release of a new version of popular bioisostere replacement tool, FieldStere.  FieldStere is a fast and powerful software tool which uses Cresset’s innovative field-point technology, together with a database of molecular fragments, to help guide drug discovery projects and generate new intellectual property.  Version 3.0 includes impressive updates to the science and user interface, and constitutes the most significant scientific update to FieldStere since its introduction.

FieldStere V3.0 now enables researchers using fragment based drug discovery protocols to grow initial leads computationally, giving significant boosts to productivity and diversity. Importantly, FieldStere works both on projects operating with protein crystallography support and on those without these resources, an area currently under supplied with computational techniques. Unlike traditional pharmacophore approaches, FieldStere uses molecular interaction with proteins as a core descriptor rather than 2D structure, enabling diverse active molecules to be described as similar.

“This version of FieldStere introduces major enhancements to the fundamental science. The ability to grow from fragments to introduce and refashion interactions made by other molecules will add significantly to the computational arsenal of Fragment Based Drug Discovery researchers.” said Dr Mark Mackey, CSO of Cresset.

FieldStere V3.0 is available as a desktop application or command line interface on Linux, Windows and now also on Mac machines. Alternatively, FieldStere may be accessed through Cresset’s Professional Services Division. A free evaluation is available through the Cresset website.

To learn more about the new features in FieldStere V3.0, please see these video demonstrations, and read these case studies on chemotype-morphing and fragment growing.technology

Cresset Establishes Professional Services Division

Welwyn Garden City – Cresset is delighted to announce the establishment of a new Professional Services division and the appointment of Dr Martin Slater as its new Director of Consulting.  Martin joins Cresset from BioFocus where, as Senior Research Fellow, he underpinned the SoftFocus library brand with the development of innovative chemogenomic tools and the design of over 40 commercially successful protein targeted libraries.

“The appointment of Martin reflects the recent strategic expansion of Cresset’s Consulting Services business” said Rob Scoffin, Chief Executive Officer of Cresset. “The Pharma and Biotech market is constantly evolving and changing, and the products and services we provide need to keep pace with these changes in order to continue to offer scientific insight and business value to our customers. The rapidly increasing demand for our expertise, demonstrated by our recent major collaboration with Redx Pharma, has led us to establish a dedicated Professional Services division. Martin’s unrivalled experience of using our tools on customer projects made him the ideal candidate to help drive this division forward.”

“This is a fantastic opportunity to join an exciting company with an excellent scientific reputation. The Cresset team has a world-leading portfolio of products and cutting edge technology for Medicinal and Computational Chemistry,” said Martin.  “I am looking forward to delivering the power of these Field based tools on a wide range of customers’ drug discovery projects.”

Martin has 14 years’ experience in the highly dynamic pharmaceutical ‘fee for service’ environment in which he supported medicinal chemistry and a diverse range of programs. After studying medicinal chemistry at the Universities of Huddersfield and Leeds, Martin joined the then start-up company BioFocus in 1997. He pioneered the use of Cresset’s Field-based technologies at BioFocus for targets including GPCRs, Kinases, Ion channels and Proteases for library generation and de-novo ligand design.

Cresset and Redx Pharma announce Major Drug Discovery Collaboration

Welwyn Garden City, UK (24th Aug 2011) – Cresset and Redx Pharma are pleased to announce that they have signed a major drug discovery collaboration. The collaboration gives Redx Pharma access to Cresset’s publicly available and proprietary computational chemistry technologies for use on their portfolio of drug discovery programs. In addition Cresset will provide consulting services in the area of candidate selection across a broad range of therapeutic areas and targets.

Rob Scoffin, CEO of Cresset said, “Cresset has developed an extensive range of consulting services around the critical areas of library design, compound design, virtual screening and lead optimization. In this case we will initially be focussing our skills on helping Redx with their lead candidate selection process, whilst the collaboration also gives Redx the ability to access our expertise, in a very flexible manner, across the full range of computational Drug Discovery services.”

“Cresset is a valuable partner in our Drug Discovery programs”, commented Dr Neil Murray, CEO of Redx Pharma, “Their deep knowledge of computational chemistry and its application to drug discovery is enabling us to progress multiple projects across a wide range of target classes very quickly and cost-effectively”.

The Redx programs make use of a number of Cresset’s computational chemistry tools. In particular FieldTemplater and FieldAlign are used respectively to provide binding hypotheses and predictions of likely biological similarity for sets of molecules in various lead series.

About Cresset Group Ltd

Cresset develops software for calculating and comparing the molecular Field characteristics of chemical compounds. Field technology uses the surface properties of molecules to evaluate their activities and properties, rather than relying on 2D structure similarity, which enables Cresset’s users to find more interesting, novel and relevant results than other methods. Cresset’s Fields provide a smarter, structure independent way of hit-finding, lead switching and lead optimization in drug discovery and other chemistry-based research projects. Cresset’s field technologies have been successfully applied to a very wide range of target classes, with and without structural information, on over 100 projects for major pharmaceutical and biotechnology companies.

About Redx Pharma Ltd

Redx Pharma’s Redox Switch approach is being used to generate improved versions of existing drugs with patient benefits including greater efficacy, fewer side effects and better ease of use.  The company’s pre-clinical drug pipeline has lead programmes for indications including cardiovascular, antibiotics, influenza and neuropathic pain.  Redx’s IP portfolio includes additional programmes in cancer, diabetes, immune disease and a range of central nervous system (CNS) disorders.  The Redox Switch technology was invented by Redx Pharma founders Dr. Peter Jackson and Dr. Derek Lindsay. Redx forerunner company Bradford Pharma was established in mid-2005, commenced operations at MerseyBio in mid-2007 and became Redx Pharma in late 2010. See: www.redxpharma.com

Cresset June Newsletter

Design a Molecule Competition – Win an iPad2

Design a Molecule Competition - Win an iPad2

More information can be found here…


Cresset User Group Meeting

This year’s Cresset User Group meeting will be at Downing College, Cambridge on Sep 21-22, 2011. The first half day will be a training session and will immediately follow the MGMS meeting at which the career of Dr Andy Vinter will be honoured. We are currently pulling together the agenda and would be delighted to hear from potential speakers.

More information can be found here…


Academic Access Program

Cresset recently announced a major new academic access program for all of its tools, including software bursaries and free individual research and training licenses and free downloads of some its tools.

More information can be found here…


New Product Releases – Pipeline Pilot & KNIME support

Cresset has released new command line versions of many of its FieldStere, FieldAlign and FieldView tools along with free Pipeline Pilot protocols and KNIME nodes, which can be used to wrap these tools into larger workflows and enterprise processes.

More information can be found here…


New Product Releases – Xedex and Free XedMin tools

For the first time, Cresset has released tools based on its unique XED forcefield. The Xedex conformation hunter and the free XedMin ligand minimizer can now be downloaded from the Cresset website.

More information can be found here…