“It is all about making the “fortunate” decision at the right time. This is when one is happy to have 3decision® as a tool and equally important, the Team behind the screen.”

— Manuel Cases Thomas, Medicinal Chemistry consultant, Director at Senechaem Ltd

An innovative way of organizing data: How can 3decision improve decision-making process? [Customer Success Story]

In the drug discovery world leveraging data to make the right decisions is key to turning a project idea into a success. For our customer, Manuel Cases Thomas, centralizing all relevant structural data to easily produce new compound design ideas is the main goal intrinsically linked with his successful project outcomes. Manuel is an independent Medicinal Chemistry consultant and Director at Senechaem, a field expert with 20 years of industry experience, and a holder of multiple patent grants.

Some of the challenges he faced in his daily work include the maximum utilization of data scattered all over the place and the simultaneous use of different in-silico tools. Often, it turned out to be time-consuming and an inefficient way of working. As a result, he wasn’t able to realize the full potential of all the structural data at hand and there was a risk of unwanted errors and missed deadlines.

The 3decision® platform helps Manuel organize relevant data in a smart way, transform them into structural knowledge and automate standard analysis in one single platform. It is a reliable tool that tells him what and how to prioritize, together with the team behind available for any kind of support. With such a simple solution, Manuel manages to increase his productivity, free up space for more creative design processes and make the right data-guided decisions at the right time.

In this article, we present Manuel's journey from scientific challenges to finding a solution with our software.

Could you tell us more about yourself: your background, training, and occupation?

Hello! I am a Bioorganic Chemist by training from the University of Pierre and Marie Curie (Paris-6) and a Medicinal Chemist by trade. I can summarize my University training as an extended education to understand and explore highly complex “phenotypic” biologic outcomes from the atomic level, forming and breaking key bonds in organic and bioinorganic molecules. The work experience, gathered mostly at Eli Lilly and Co, has shown me that however simply miraculous life and biological system are, natural molecules are seldom drugs. They are not designed to stick to their receptor for as long as possible, to cross the blood-brain barrier while been as safe as possible. I am in the privileged position of inventing a new matter that is going to explore the modulation of biological pathways, hopefully for the better. And always in the context of advancing solutions against unmet medical needs.

What is your current position?

I have several hats. Now you can find me quite busy contributing to an incredible group of Scientists in Denmark. I am their Medicinal Chemist, VP of Medicinal Chemistry, with a goal to make every molecule we design and make count. For that, the use of your tool, 3decision®, has proved to be invaluable.

Thank you! Could you share with us the scientific needs you were facing that made you look for a solution like 3decision®?

As a typical medicinal project, my collaborators and I had a collection of published X-Rays, a bunch of published binding data, and a three-month budget. We needed to rationalize what we had and prove in two iterative rounds that we were able to make improvements upon the existing landscape. We were looking for a fast and high-quality solution. It is all about making the “fortunate” decision at the right time. And this is when one is happy to have 3decision® as a tool and, equally important, the Team behind the screen.

When you started using 3decision® did you find it intuitive?

3decision® solution is simple and nimble enough so that its use becomes a pleasure. I am still learning about it and discovering possibilities; however, I was able to use it from day 1 productively. The depth of the program is not a drag for its use.

Have you used in-silico tools for structure-based drug design (SBDD) before? If yes, what are the 3 advantages of 3decision® among them?

Of course, I have used over the years an incredible amount of CADD tools. In its infancy, it was a time when only Computational Chemists would have access to highly complicated tools that required sophisticated and specific knowledge to obtain a result. Quite often the project was completed by the time the de-novo application was finished. With the development of a new industry based on the delivery off-the-shelve solutions for use by a Medicinal Chemist the game has changed, and the quality of the solutions is ever increasing due to the healthy competition. From a user perspective, the status quo is that the in-silico tools are reliable and provide the required answers. It would be impossible to be competitive without using them anymore. What I have learned though is that the computer program is not going to find, just yet, the answer on its own. The question is still paramount. Compared to the other tools, the ability to provide a fast, high-quality answer is what makes the real value of 3decision®.

Would you recommend our product to the scientists in the SBDD team?

So, in a nutshell, I would recommend 3decision® to anyone having to make important decisions, because it works for me. The interface is “playful” and that is a good bonus. Finally, and most importantly, if I need help, I will find an exquisitely friendly, professional, and knowledgeable 3decision® person that I will talk to. Working in a virtual environment has proved to be a deal maker. And the 3decision® Team has proved that they are as flexible as the field and the nature of the business is. They are able to adapt to the needs of the customer.

About 3decision®

3decision® is the collaborative platform for storing, analyzing, and sharing protein-ligand structures, sequences, and associated data suitable for R&D industry teams as well as for individual researchers. For a personalized session, book a one-to-one demo and meet with one of our experts.

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An innovative way of organizing data: How can 3decision® improve decision-making process? [Customer Success Story]