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 includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We utilise our cutting-edge, exclusive workflow to develop focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q9Y5U8
UPID:
MPC1_HUMAN
Alternative names:
Brain protein 44-like protein
Alternative UPACC:
Q9Y5U8; B2R5I7; Q5TI66; Q9HB67; Q9UQN4
Background:
Mitochondrial pyruvate carrier 1, also known as Brain protein 44-like protein, plays a crucial role in cellular energy metabolism by mediating the uptake of pyruvate into mitochondria. This process is vital for the conversion of pyruvate into acetyl-CoA, a key substrate for the Krebs cycle, which generates ATP through oxidative phosphorylation.
Therapeutic significance:
The protein is linked to Mitochondrial pyruvate carrier deficiency, a severe metabolic disorder with symptoms including delayed psychomotor development, metabolic acidosis, and encephalopathy. Understanding the role of Mitochondrial pyruvate carrier 1 could open doors to potential therapeutic strategies for this condition.