Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
We employ our advanced, specialised process to create targeted 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
Q9Y2J0
UPID:
RP3A_HUMAN
Alternative names:
Exophilin-1
Alternative UPACC:
Q9Y2J0; B7Z3C3; Q96AE0
Background:
Rabphilin-3A, also known as Exophilin-1, encoded by the gene with accession number Q9Y2J0, is pivotal in regulated exocytosis. It facilitates docking and fusion steps, modulating synaptic vesicle trafficking and neurotransmitter release in a GTP-dependent manner alongside RAB3A. Additionally, it contributes to NMDA receptor stability through a complex with GRIN2A and DLG4 and is involved in the exocytosis of arginine vasopressin hormone.
Therapeutic significance:
Understanding the role of Rabphilin-3A could open doors to potential therapeutic strategies.