Category: Chemical Biology

1198-D - Syntheses of Unique 3D Building Blocks for DNA-encoded Libraries

Tuesday, February 6, 2018
5:00 PM - 6:00 PM

Selection-based screening of large libraries of lead-like molecules, that are distinguished by unique DNA barcodes, has become a validated method to identify bioactive compounds. It has led to several recently discovered drug candidates, active towards different therapeutic targets. Though this relatively new technology enables the easy and cost-effective maintenance and usage of supersized collections of small molecules, the characteristics of those molecules, furthermore that of the principle building blocks are equally important.


Over the last few years there has been an increasing intention to improve the physical chemical properties (e.g. logP, logD and solubility) of molecules developed in early phase drug discovery. As a result of these compound optimization projects, research has shown that increasing the sp3 character of N-containing heterocycles significantly improves such parameters and empowers molecules with better ADMET characteristics, subsequently leading to higher compound quality. Thus, the need for the rational design and synthesis of 3D chemical structures, instead of their purely aromatic and flat counterparts, is growing rapidly.


High fsp3 templates could easily be generated via partial reduction of aromatic compounds. ComInnex, using its long-standing knowledge in the fields of both synthesis and hydrogenation of aromatics and heteroaromatics, has developed a cheminformatics supported technology platform to design & synthesize unique and diverse molecule and molecule libraries, including bi- and trifunctional building blocks attractive for DNA-encoded libraries.


In this presentation, we will show how we apply a wide range of state-of-the-art flow technologies throughout our synthesis strategies to provide novel compounds for the exponentially growing field of DNA-encoded chemistry.

Krisztian Niesz

Business Development
Cominnex Inc.
Budapest, Pest, Hungary

I have a PhD in chemistry. Now working as a business developer for Cominnex, a CRO offering chemistry services to life sciences companies.