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BioDesignTM
 

The drug discovery industry has always regarded NPs as a valuable source of bioactive molecules. It is remarkable to note that the 33% of the NCEs discovered between 1981 and 2002 are either NPs or closely related to them (Rydzewski RM (2008) Realworld drug discovery. Elsevier, Slovenia 257-262). Moreover, the stream of new targets from genomics and proteomics require new chemotypes.

As NP-based drug discovery poses serious synthetic challenges and difficult screening procedures, most pharmaceutical companies have been downscaling in this field since the 1980s. Furthermore, the past two decades of HTS have shown that the era of synthetic compound libraries has generated millions of molecules that will never lead to new drugs. However, NPs represent an attractive source of diversity that is rarely seen in synthetic libraries. Therefore, the identification and incorporation of NP elements into synthetic scaffolds represents a synergic compromise that allows the unification of the positive features of two fields which are usually dealt with in isolation.

BioDesign represents this 'synergic compromise' between NP privileged features and straightforward screening and follow up chemistry. At the heart of the BioDesign concept is the incorporation of a 'BioCore' (see below) into many of our scaffolds, as well as saturated, spiro, chiral and 3D geometric compounds (plus a subset of highly soluble compounds). ASINEX is focusing on compounds which are highly privileged and at the same time under-represented in commercial sources.

Please click on any of the logos to see examples of the structures

 
Bio Building Blocks
& BioFragments
BioDesign F2LTM BioDesign Targeted Libraries
 
 
  • BioCore is the combination of 2 heterocycles (often found in natural products) - one is aromatic & one is saturated, linked by a CC bond

  • BioCores allow chemists to create nature/lead-like scaffolds
  • Asinex focuses on the most privileged elements of known drugs & natural products
We strongly believe that following the BioCore framework allows chemists to create nature/lead-like scaffolds and incorporate the most privileged elements of known drugs and natural products.

Analysis of known drugs shows that the combination of 1 aromatic and 1 saturated heterocycle much more frequently occur than the combination of any other heterocyclic combination. BioDesign focuses almost exclusively on alkaloids as the top 10 heterocycles in the CMC database correlate with the top scoring natural product scaffolds which are all alkaloids.

It is clear that nature prefers cc bonds whereas medicinal chemists prefer nc bonds to link heterocycles. The reason for this is because creating cc bonds is chemically more challenging and thus underrepresented among commercially available compounds and building blocks. BioDesign follows the more challenging path that has evolved from nature.



BioCore IP Space

Here are three schemes which show the IP space as checked in the literature, in 3 parts (3 x 204) which represent a total of 612 feasible combinations.

1. For 204 BioCore combinations based on a direct bond between two cycles, 124 feasible combinations have no known references.
Direct CC Bond
2. For congested areas the addition of a substituent or a functional group will result in clear IP, as 152 feasible combinations have no known references.

-CH2- linker

3. The extension of the linker will increase the novelty dramatically, and there are just a few examples of BioCores based on the ethylen linker. 183 feasible combinations have no known references.

-CH2CH2- linker

Out of the 612 feasible combinations, it is remarkable to note that 459 have zero entries in the literature.

№ of Refs

Direct CC Bond

-CH2- linker

-CH2CH2- linker

0

124

152

183

1-5

31

30

20

6-10

8

6

1

11+

41

16

0

BioDesign is only available upon request, please contact us at busdev@asinex.com

 
 
 
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