Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
We use our state-of-the-art dedicated workflow for designing focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9UJS0
UPID:
S2513_HUMAN
Alternative names:
Calcium-binding mitochondrial carrier protein Aralar2; Citrin; Mitochondrial aspartate glutamate carrier 2; Solute carrier family 25 member 13
Alternative UPACC:
Q9UJS0; O14566; O14575; Q546F9; Q9NZW1; Q9UNI7
Background:
The Electrogenic aspartate/glutamate antiporter SLC25A13, also known as Citrin and mitochondrial aspartate glutamate carrier 2, plays a crucial role in cellular metabolism. It facilitates the exchange of aspartate and glutamate across the mitochondrial membrane, integral to the malate-aspartate shuttle, a key process in cellular respiration and energy production.
Therapeutic significance:
Mutations in SLC25A13 are linked to Citrullinemia type 2 and neonatal intrahepatic cholestasis caused by citrin deficiency. These conditions underscore the protein's vital role in metabolic pathways and highlight the potential for targeted therapies to correct metabolic imbalances and prevent severe neuropsychiatric symptoms and liver dysfunction.