Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
Q9HCC0
UPID:
MCCB_HUMAN
Alternative names:
3-methylcrotonyl-CoA carboxylase 2; 3-methylcrotonyl-CoA carboxylase non-biotin-containing subunit; 3-methylcrotonyl-CoA:carbon dioxide ligase subunit beta
Alternative UPACC:
Q9HCC0; A6NIY9; Q96C27; Q9Y4L7
Background:
The Methylcrotonoyl-CoA carboxylase beta chain, mitochondrial, known alternatively as 3-methylcrotonyl-CoA carboxylase 2, plays a pivotal role in leucine and isovaleric acid catabolism. It functions as a carboxyltransferase subunit, facilitating the conversion of 3-methylcrotonyl-CoA to 3-methylglutaconyl-CoA.
Therapeutic significance:
Linked to 3-methylcrotonoyl-CoA carboxylase 2 deficiency, a disorder with a spectrum from severe neurological involvement to asymptomatic adults, understanding the role of this protein could open doors to potential therapeutic strategies.