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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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 use our state-of-the-art dedicated workflow for designing 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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9UBX3
UPID:
DIC_HUMAN
Alternative names:
Solute carrier family 25 member 10
Alternative UPACC:
Q9UBX3; Q542Z3; Q96BA1; Q96IP1
Background:
The Mitochondrial dicarboxylate carrier, also known as Solute carrier family 25 member 10, plays a pivotal role in cellular energy metabolism. It facilitates the exchange of key metabolites across the mitochondrial inner membrane, impacting gluconeogenesis, fatty acid metabolism, urea synthesis, and sulfur metabolism. This protein's activity is crucial in liver function, regulating fatty acid release from adipocytes and influencing systemic insulin sensitivity.
Therapeutic significance:
Linked to Mitochondrial DNA depletion syndrome 19, a severe mitochondrial disorder, understanding the role of the Mitochondrial dicarboxylate carrier could open doors to potential therapeutic strategies. Its involvement in metabolic processes makes it a target for addressing the underlying metabolic dysfunctions in this syndrome.