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BioDesignTM
 
BioDesign is the latest ASINEX library initiative. The design philosophy is to create compounds which are highly privileged while at the same time under-represented among commercial sources.

At the heart of the BioDesign libraries is ASINEX’s concept is the incorporation of a privileged fragment termed ‘BioCore’ (click here to learn more about BioCore) into many of our scaffolds.

Please click on any of the logos to see examples of the structures
 
Bio Building Blocks BioFragments F2L Set
BioGPCR BioKinase Bio Ion Channel
 
 
  • 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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exclusive synthesis of unique compounds?

Based on its innovative BioDesign library concept,
ASINEX has developed a chemically feasible virtual library of over 1,000,000 compounds that is highly novel & diverse.

For more info please
contact us at busdev@asinex.com
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