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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed 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.
Our top-notch dedicated system is used to design specialised 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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q86VD7
UPID:
S2542_HUMAN
Alternative names:
Solute carrier family 25 member 42
Alternative UPACC:
Q86VD7; D2T2J5; O14553; O43378
Background:
The Mitochondrial coenzyme A transporter SLC25A42, alternatively known as Solute carrier family 25 member 42, plays a crucial role in cellular energy metabolism. It facilitates the transport of coenzyme A (CoA) within mitochondria, exchanging it for intramitochondrial (deoxy)adenine nucleotides and adenosine 3',5'-diphosphate. This process is vital for numerous metabolic pathways, underscoring the protein's importance in maintaining cellular function.
Therapeutic significance:
SLC25A42 is implicated in a severe autosomal recessive disease characterized by muscle weakness, developmental delay, and encephalopathy, among other symptoms. The disease's variability in clinical manifestations, ranging from asymptomatic lactic acidosis to severe multiorgan involvement, highlights the protein's potential as a target for therapeutic intervention. Understanding the role of SLC25A42 could open doors to potential therapeutic strategies, offering hope for individuals affected by these metabolic crises.