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.
The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
Our top-notch dedicated system is used to design specialised libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Our library stands out due to several important features:
partner
Reaxense
upacc
P05166
UPID:
PCCB_HUMAN
Alternative names:
Propanoyl-CoA:carbon dioxide ligase subunit beta
Alternative UPACC:
P05166; B7Z2Z4; Q16813; Q96CX0
Background:
The Propionyl-CoA carboxylase beta chain, mitochondrial, a crucial component of the biotin-dependent propionyl-CoA carboxylase (PCC) enzyme, plays a pivotal role in the catabolism of odd chain fatty acids and branched-chain amino acids. This enzyme's activity is essential for converting propionyl-CoA to D-methylmalonyl-CoA, a critical step in metabolizing certain amino acids and fatty acids.
Therapeutic significance:
Propionic acidemia type II, a life-threatening condition marked by episodic vomiting, lethargy, and various hematological and developmental issues, is directly linked to mutations affecting this protein's gene. Understanding the Propionyl-CoA carboxylase beta chain's function could pave the way for innovative treatments for this and related metabolic disorders.