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 is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9Y619
UPID:
ORNT1_HUMAN
Alternative names:
Solute carrier family 25 member 15
Alternative UPACC:
Q9Y619; Q5VZD8; Q9HC45
Background:
Mitochondrial ornithine transporter 1, also known as Solute carrier family 25 member 15, plays a pivotal role in the urea cycle. It facilitates the exchange between cytosolic ornithine and mitochondrial citrulline, crucial for detoxifying ammonia in the liver. This protein also transports lysine and arginine, indicating its broader significance in amino acid metabolism.
Therapeutic significance:
The protein is directly linked to Hyperornithinemia-hyperammonemia-homocitrullinuria syndrome, a disorder affecting the urea cycle. Understanding the role of Mitochondrial ornithine transporter 1 could open doors to potential therapeutic strategies for this and related metabolic conditions.