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.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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
Q14183
UPID:
DOC2A_HUMAN
Alternative names:
-
Alternative UPACC:
Q14183; B4DEJ2; H3BNH6; Q6P4G4; Q7Z5G0; Q8IVX0
Background:
Double C2-like domain-containing protein alpha acts as a pivotal calcium sensor, orchestrating the fusion of vesicles with membranes by binding calcium and phospholipids. Its role extends to facilitating calcium-dependent neurotransmitter release via interaction with UNC13A and modulating spontaneous neurotransmitter release in neuronal cells without action potentials. Additionally, it plays a crucial role in the Ca(2+)-dependent exocytosis of secretory lysosomes in mast cells.
Therapeutic significance:
Understanding the role of Double C2-like domain-containing protein alpha could open doors to potential therapeutic strategies.