Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
Our top-notch dedicated system is used to design specialised libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q96RQ3
UPID:
MCCA_HUMAN
Alternative names:
3-methylcrotonyl-CoA carboxylase 1; 3-methylcrotonyl-CoA carboxylase biotin-containing subunit; 3-methylcrotonyl-CoA:carbon dioxide ligase subunit alpha
Alternative UPACC:
Q96RQ3; Q59ES4; Q9H959; Q9NS97
Background:
Methylcrotonoyl-CoA carboxylase subunit alpha, mitochondrial, known alternatively as 3-methylcrotonyl-CoA carboxylase 1, plays a pivotal role in leucine and isovaleric acid catabolism. It catalyzes the conversion of 3-methylcrotonyl-CoA to 3-methylglutaconyl-CoA, a critical step in the metabolic pathway.
Therapeutic significance:
3-methylcrotonoyl-CoA carboxylase 1 deficiency, an autosomal recessive disorder, showcases the enzyme's crucial role in metabolism. The disorder's spectrum ranges from severe neurological involvement to asymptomatic adults, highlighting the enzyme's potential as a target for therapeutic intervention.