Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
We employ our advanced, specialised process to create 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.
Our library stands out due to several important features:
partner
Reaxense
upacc
O75936
UPID:
BODG_HUMAN
Alternative names:
Gamma-butyrobetaine hydroxylase; Gamma-butyrobetaine,2-oxoglutarate dioxygenase
Alternative UPACC:
O75936; B2R8L7; D3DQZ1; Q6IBJ2
Background:
Gamma-butyrobetaine dioxygenase, also known as Gamma-butyrobetaine hydroxylase or Gamma-butyrobetaine,2-oxoglutarate dioxygenase, plays a crucial role in the biosynthesis of L-carnitine from gamma-butyrobetaine. This enzyme's activity is pivotal for the proper metabolism of fatty acids in the mitochondria, facilitating the transport of long-chain fatty acids across the mitochondrial membrane.
Therapeutic significance:
Understanding the role of Gamma-butyrobetaine dioxygenase could open doors to potential therapeutic strategies. Its critical function in fatty acid metabolism positions it as a key target for interventions in metabolic disorders and diseases related to mitochondrial dysfunction.