What does Technology Access mean to us?
When you are working in such an extremely competitive land as ours it is very important to find ways to distinguish yourself from the crowd. One can use catchy marketing phrases, worn-out buzzwords, but at the end of the day “seeing is believing” says the proverb. Can we prove that we are different, supposedly better than the competition, can we justify our customers’ time, effort and more importantly their money that they would like to invest in us? In many cases the answer to these questions can be found in the technology accessible to us. Of course, it can mean different things to different CROs, and my intention here is not to standardize, but to focus on our own situation instead.
Let’s take a “simple” use case, namely pharma’s increasing interest in structures with low aromacity for example. It is known that compounds with high fsp3 characteristics have better chances in development due to improved physicochemical properties (e.g. increased solubility), and significantly better ADMET behavior compared to fully aromatic systems.
Our technology enabled library set is built on two main pillars: At first, we use an automated high-throughput hydrogenation platform, developed by ThalesNano, towards transforming 2D compounds into 3D. The underlined microflow reactors are utilizing superb heat and mass transfer characteristics, given by the dimensions of the reaction space, to reach novel chemistry, as well as they allow us to perform previously avoided hazardous reactions by in situ hydrogen generation via the electrolysis of water (http://thalesnano.com/flow-university/how-flow-chemistry-can-benefit-you). However, not only we use novel and patented technology during compound synthesis, we also combine that with the tremendous knowledge in in silico design. We apply numerous highly sophisticated cheminformatics workflows towards creating diverse libraries. These workflows include steps for standardizing compounds in large databases, filtering based on physicochemical parameters, excluding undesired and toxic functionalities, running reactions based on compiled hydrogenation rules, predicting isomers, applying novelty search, conducting reaction enumeration and so on.
Ok, so what’s the linkage? How to connect synthesis with design? Well, the “devil is in the details”, which in this particular case means that the hydrogenation rules used in the library design part are from real life experiences collected over decades of work, and turned wisely back into our know-how DB, the base point for all design.
You can see now the iterative cycles how synthesis provides constant and continuous feedback to design or vice versa. That is our main message, that has lead us to generate 1000s of scaffolds highly valued by our customers. I’d encourage you to take action and let us know if you find our approach unique or you have other imagination about technology access. Also, I have not forgotten the “seeing is believing” part. Let us know if you wanna know more about our awesome chemistry!