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.
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 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.
We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Several key aspects differentiate our library:
partner
Reaxense
upacc
P11498
UPID:
PYC_HUMAN
Alternative names:
Pyruvic carboxylase
Alternative UPACC:
P11498; B4DN00; Q16705
Background:
Pyruvate carboxylase, mitochondrial, also known as Pyruvic carboxylase, plays a pivotal role in metabolic processes. It catalyzes the ATP-dependent carboxylation of biotin and the transfer of the carboxyl group to pyruvate, facilitating the synthesis of glucose and lipids from pyruvate in a tissue-specific manner. This enzyme is essential in the liver, kidney, adipose tissue, and brain.
Therapeutic significance:
Pyruvate carboxylase deficiency, characterized by lactic acidosis, intellectual disability, and early mortality, underscores the enzyme's critical role in metabolism. This condition highlights the enzyme's potential as a target for therapeutic intervention, aiming to alleviate or manage the symptoms associated with its deficiency.