Up to 30% tax relief for French companies outsourcing projects to Cresset Discovery Services

Up to 30% tax relief for French companies outsourcing projects to Cresset Discovery Services

Cambridge, UK – 17th October 2017 – Cresset, innovative provider of software and contract research services for small molecule discovery and design, has been awarded French R&D tax credit (Credit d’Impot Recherche (CIR)) accreditation by the French Minister for Higher Education, Research and Innovation (MESRI).

Recognition of Cresset as an official Research Organization by the Ministry of Education and Research allows eligible organizations to claim up to 30% tax relief on projects outsourced to Cresset Discovery Services.

“This accreditation emphasizes Cresset’s commitment to helping companies make the molecules that matter, at the best possible price,” says Dr David Bardsley, Commercial Director at Cresset.

Find out how to get support for your R&D and innovation.

Jusqu’à 30 % d’allègement fiscal pour les entreprises françaises qui externalisent leurs projets auprès de Cresset Discovery Services

Cambridge, Royaume-Uni – le 17 octobre 2017 – Cresset, fournisseur innovant de logiciels et de services de recherche contractuelle pour la découverte et la conception de petites molécules, s’est vu décerner l’accréditation Crédit d’Impôt Recherche (CIR) par le Ministère français de l’Enseignement supérieur, de la recherche et de l’innovation (MESRI).

La reconnaissance de Cresset en tant qu’organisme de recherche officiel par le Ministère de l’Enseignement et de la recherche permet aux organisations remplissant les conditions requises de demander jusqu’à 30 % d’allègement fiscal sur les projets externalisés auprès de Cresset Discovery Services.

« Cette accréditation témoigne de la détermination de Cresset à aider les entreprises à fabriquer les molécules qui importent, au meilleur prix possible, » déclare le Dr David Bardsley, Directeur commercial chez Cresset.

Découvrez comment vous pouvez obtenir de l’aide pour vos projets de R&D et d’innovation.

September 2017 newsletter

Blaze V10.3 released for even better virtual screening

The latest version of Blaze™, our virtual screening platform is now available. V10.3 introduces pharmacophore constraints to enable you to find the best possible new hits and leads. Alongside pharmacophore constraints, we’ve added additional similarity metrics and updated the user interface.

Sneak peek at Forge V10.5

New versions (V10.5) of Forge™ and Torch™ are due out next month. This release offers new science and functionality and plenty of improvements that significantly enhance both applications. Here we offer a sneak peek at some of the new functionality in Forge.

Flare enhances the Cresset Discovery Services toolbox

What does Flare™, our new structure-based design application, offer Cresset Discovery Services that it didn’t have before?

Recent citations

  • 3D-QSAR studies on Maslinic acid analogs for Anticancer activity against Breast Cancer cell line MCF-7, Nature Scientific Reports
  • Development and evaluation of 4-(pyrrolidin-3-yl)benzonitrile derivatives as inhibitors of lysine specific demethylase 1, Bioorganic & Medicinal Chemistry Letters
  • Development of (4-Cyanophenyl)glycine Derivatives as Reversible Inhibitors of Lysine Specific Demethylase 1, Journal of Medicinal Chemistry
  • Thiazolidine derivatives as potent and selective inhibitors of the PIM kinase family, Bioorganic & Medicinal Chemistry Letters

Read these and more citations.

Back to school offer

Up to 25% off academic research licenses on all orders received by October 31, 2017.

Commercial Director to run 32nd half marathon

On October 1, 2017, David Bardsley, our Commercial Director will run his 32nd half marathon in Cardiff, UK. We’re delighted to sponsor David in raising funds for cancer research at Cardiff University.

August 2017 newsletter

Comparing ligand and protein electrostatics of Btk inhibitors

In this case study, protein interaction potentials implemented in Flare, Cresset’s structure-based design software, were used to calculate a detailed map of the electrostatic character of the protein active site of Bruton’s tyrosine kinase (Btk), and compared to ligand fields to get a detailed understanding of ligand binding and SAR.

Flare web clip tips and tricks

  • Visualizing protein-ligand interactions
  • Docking ligands with Lead Finder
  • Protein alignment and superposition

See these and more tips and tricks.

Empowerment of rare disease patients in modern healthcare delivery

Patients with rare conditions are using their collective power to get access to better medicines. David Cavalla describes how patient communities are campaigning on social media, forming charities and even starting their own drug companies.

Meet us in September

  • 6th, Cambridge Cheminformatics Network Meeting, Cambridge, UK
  • 10th – 13th, RSC/SCI Medicinal Chemistry Symposium, Cambridge, UK – find us on Stand E
  • 11th, BAGIM Panel on Cloud Computing for Molecular Modeling, Boston, MA, USA
  • 19th, Pharma ChemOutsourcing, Long Branch, NJ, USA
  • 29th, UK QSAR Autumn Meeting, Manchester, UK

See all events.

Empowerment of rare disease patients in modern healthcare delivery



By David Cavalla, Numedicus Limited.

If you’re fond of alliteration you’ll know that you can divide the stakeholders in modern healthcare into three ‘P’s: patients, payers and pharmaceutical companies, with physicians and pharmacists taking additional minor roles. Traditionally the patient has played a passive part, but over recent years the patient community has dramatically increased its involvement and influence in modern healthcare delivery, particularly in the rare disease sector.

Approved drugs do not exist for over 90% of the 7,000-8,000 rare diseases, and the commercialization of niche products for rare and orphan drugs has become the most favored growth opportunity over the conventional mass-market ‘blockbuster’. Repurposing is a common development option, but the development of drugs in these areas is dependent on access to patients in clinical trials.

Patients with rare conditions are increasingly organized into communities with a voice, and they are using their collective power to get what they want, namely access to better medicines.

Social media helps patients organize

Rare disease patients are much more likely to be ill as a child, and from inherited genes, than as an older person. This leads to highly motivated communities consisting of patients and their friends and relatives. Social media makes it possible for self-organizing communities to further the aims of rare disease patients.

Pharma companies are keen to form alliances with patient groups to further their case for payers to reimburse expensive medicines.

A key demand of patient groups is that that healthcare resources are allocated to the patients, even when such resources are scarce. The charity Action Duchenne, recently parked the wheelchairs of over 100 teenage boys outside the UK parliament to campaign for reimbursement of the first approved drug for the condition.

Some of the carers of rare disease patients and the patients themselves go to great lengths to educate themselves about the relevant condition. From this position, it is an easy step for them to ask themselves a simple question – what more can a patient or carer do to improve therapy?

Patient groups founding drug companies

John Crowley has two children with a severe neuromuscular lysosomal storage disease called Pompe Disease. He started a foundation to raise money for the condition, then took a job with Bristol Myers Squibb in order to learn all he could about the pharmaceutical business.

His next step was to found Novazyme Pharmaceuticals to develop an enzyme replacement therapy for his daughters’ condition. This was subsequently acquired by Genzyme corporation and the treatment was brought to market.

Later, John Crowley became CEO of Amicus Therapeutics which is also engaged in lysosomal storage disorder research for Pompe and Fabry diseases. His story featured in a book, and in 2010 was made into a film called Extraordinary Measures starring Harrison Ford.

This story is exceptional, but there are many other examples of patient- and carer-motivated drug development.

Charities taking on drug development

The Cure Parkinson’s Trust is a leading charity aiming to slow the progression, stop or even to reverse Parkinson Disease, the progressive neurodegenerative condition characterised by rigidity, tremor and bradykinesia.

The trust has rapidly acquired interests into the study of a wide range of potential therapeutic interventions, and is currently connected with over 50 pharmaceutical companies and associated with nearly 3,000 investigators. They are carrying out a number of advanced clinical trials, including a Phase III trial of the calcium L-type blocker isradipine; drug repurposing features frequently in the work they do, with studies underway on exenatide and liraglutide (GLP-1 agonists), simvastatin (HMG-CoA inhibitor) and N-acetyl cysteine (antioxidant).

They place particular emphasis on a network of key opinion leaders with interests in investigating novel mechanisms in the condition, and are led by Dr Richard Wyse, a former lecturer in various London hospitals as well as medical director at two biotech companies.

Another example of this is Dr Pan Pantziarka of the ReDO project (Repurposing Drugs in Oncology), which was formed from the AntiCancer Fund and Global Cures. This organization has 5 trials underway, mostly drug repurposing combinations such as metformin (antidiabetic)/zoledronate (anti-osteoporosis)/sirolimus (transplant rejection medicine).

A particular focus is on the treatment of the rare cancer angiosarcoma with propranolol. Dr Pantziarka has a personal reason for his interest in cancer, but is also scientifically trained. ReDO are looking at putting in place a regime of tax incentives from the UK Government for the development of generic repurposed drugs.

The wider scope for development models

These examples point out the complex ways in which charities are becoming integrated into the drug R&D landscape, far beyond their original role in fundraising and care support for their conditions, patients can be medical experts, drug developers and clinical investigators. This is particularly the case for rare diseases, but in the future the changes will almost certainly extend into more common diseases too.

For the larger charities, this is not an entirely new phenomenon: Cancer Research UK supports a lot of research activity already – in 2015/6, amounting to £376 million, including nearly £120 million into the biology of cancer. The British Heart Foundation, too, spends over £100 million per annum, mostly on basic research. The focus on drug repurposing as a more efficient translational strategy is likely to grow, however, because of the cost and time advantages which characterise this approach, and it will be interesting to see what changes accrue when some of the larger charities adopt it to the same degree as some of the examples cited above.

July 2017 newsletter

Flare release announcement

Flare™ is released and ready for you to evaluate. Flare brings you new insights for structure-based design in a modern, easy to use interface that provides a framework for future growth. Combining the best of Cresset research with cutting edge methods from academia and selected commercial partners, Flare gives you a deeper understanding of protein-ligand complexes that will inform and improve new molecule design.

See Flare in action

This video gives an introduction to analyzing proteins and informing new molecule design with Flare.

Comprehensive Medicinal Chemistry III

In Lessons and Successes in the Use of Molecular Fields, Paolo Tosco and Mark Mackey have reviewed over thirty years of work on molecular interaction fields. Read how a field-centric perspective on molecules has enabled a range of everyday in silico applications, from bioisosteric replacement and molecular similarity assessment to virtual screening.

In silico methods to streamline optimization

In silico methods streamline the optimization process by giving you more understanding of your target and your hits, and by making it easier to manage your data. Martin Slater describes how Cresset Discovery Services can help streamline your optimization.

Presentations from The Cresset User Group Meeting

Thank you to the speakers, and delegates from around the globe, who contributed to the success of the meeting. Download the presentations we have permission to publish.

Save the date for 2018

The Cresset User Group Meeting: June 21 – 22, 2018.

Presentations from The Cresset User Group Meeting 2017

Thank you to the invited speakers, and delegates, who contributed to the success of The Cresset User Group Meeting.

The presentations we have permission to publish can be downloaded upon completion of the form below.


Cresset releases Flare: Powerful structure-based design application with outstanding new methods for protein-ligand systems

Cambridge, UK – 29 June 2017 – Cresset, innovative provider of software and contract research services for small molecule discovery and design, announces the release of Flare, an intuitive desktop application that provides outstanding new methods for understanding protein-ligand systems. Flare enhances Cresset’s existing excellent product range focused on ligand-based design, and becomes their first product explicitly designed to support structure-based design.

“Cresset has been pushing the boundaries of ligand-based design for many years,” says Dr Robert Scoffin, CEO of Cresset. “Flare introduces structure-based design into our portfolio, giving companies access to outstanding new methods for investigating protein-ligand systems.”

Computational, medicinal and synthetic chemists working on small molecule design and optimization will use Flare to:

  • Gain vital knowledge ofprotein and ligand electrostatics to improve new molecule design
  • Compare electrostatic patterns across a protein family to design more selective ligands
  • Design new molecules anddock them to a protein target
  • Minimizeprotein-ligand complexes to achieve the optimal interaction for each compound
  • Calculate the location andstability of water molecules in a protein to guide compound design.

“Flare represents the next generation of structure based design applications,” says Dr Tim Cheeseright, Director of Products. “It has a modern, intuitive interface and is easily configured to enable cloud-based calculations, making excellent science immediately available to all users whatever their experience level.”

Users will benefit from:

  • Simple drag and drop to import/export molecules to the desktop or other compatible applications
  • Ready access to powerful tools through a modern ‘ribbon bar’ interface
  • Simple yet powerful selection capabilities and cutting-edge display options producing highly insightful molecular graphics.

“Flare integrates cutting edge approaches from Cresset with significant open source and commercial methods,” explains Dr Mark Mackey, CSO. “Throughout the product development we have worked alongside users from major pharmaceutical and biotech companies to ensure that we deliver the best science in the most intuitive format.”

Flare can be evaluated free of charge.

Download press release.

June 2017 newsletter

Flare release imminent: New insights for structure-based design

With the release of Flare imminent, Tim Cheeseright acknowledges the dedicated alpha and beta testers who have contributed to this exciting new application for structure-based design.

Molecular design towards Protein-Protein Interaction inhibitors

Martin Slater explores a powerful combination of cutting edge ligand and structure-based modeling using Flare and Blaze to see what could usefully be done with PPIs.

Using computational methods to elucidate protein-ligand interactions

Developing a robust binding hypothesis can lead to the discovery of new actives, broaden your optimization options, or help secure a back-up series. Cresset Discovery Services routinely uses homology modeling to move projects on to the next step.

Latest Spark reagent databases

The latest version of the Spark reagent databases is available now. Updated information on reagent availability from over 150 trusted suppliers can be downloaded using the Spark Database Updater. Contact us for other ways to keep up-to-date with Spark reagents.

Cresset applications licensed by Shiv Nadar University, India

Cresset supports teaching of computational chemistry though flexible software licenses and educational discounts. This month Shiv Nadar University, India, have licensed Forge and Spark to educate the computational chemists of the future.

We’re hiring!

Cresset applications licensed by Shiv Nadar University, India, to teach computational chemists of the future

Cambridge, UK – 20 June 2017 – Cresset, innovative provider of software and contract research services for small molecule discovery and design, announces that the Shiv Nadar University, India, has licensed the following applications to educate the computational chemist of the future: Forge – powerful ligand-focused workbench for SAR and design; and Spark – scaffold hopping application for progressing through lead optimization faster.

“Cresset actively supports academic research by providing flexible licensing terms,” says Dr David Bardsley, Commercial Director at Cresset. “We are delighted that Shiv Nadar University, India, joined the growing number of academics who are using our applications globally.”

“We pride ourselves on providing our students with the best tools for computational modeling and design,” says Professor N. Sukumar, Department of Chemistry, Shiv Nadar University. “By using Cresset technology through hands-on use of Forge and Spark, our students will be better prepared for a career in computational chemistry.”

Download press release.

Re-Pharm and Cresset Discovery Services to attend BIO International for partnering

Cambridge, UK – June 13, 2017 – Cresset, innovative provider of software and contract research services for small molecule discovery and design, and Re-Pharm, an early-stage drug discovery and development company that uses computational chemistry for re-profiling, will attend BIO International in San Diego on June 19-22.

“I am looking for partners to progress the anti-inflammatory compound RP0217 through early clinical development and clinical trials” says Dr Robert Scoffin, CEO of Re-Pharm. “RP0217 is a novel anti-inflammatory showing excellent standalone activity plus a strong steroid-sparing synergy with standard glucocorticoids. Re-Pharm holds patents on the use of RP0217 for the treatment or prevention of respiratory and gastrointestinal inflammatory disorders and for its use with and without co-formulated or co-administered steroids in topical ophthalmic indications, specifically conjunctivitis and uveitis, and prophylactic use in surgical applications such as LASIK.”

 “Cresset Discovery Services consultants bring a fresh perspective, years of industry experience, outstanding science and a complete professional service” says Dr David Bardsley, Commercial Director of Cresset Discovery Services. “Having delivered more than 200 early phase discovery projects to many leading pharmaceutical, biotech, agrochemical, flavor and fragrance companies, I look forward to discussing how we can advance company research projects.”