Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.
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 utilise our cutting-edge, exclusive workflow to develop 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 is unique due to several crucial aspects:
partner
Reaxense
upacc
Q08AM6
UPID:
VAC14_HUMAN
Alternative names:
Tax1-binding protein 2
Alternative UPACC:
Q08AM6; B3KPJ5; B3KSM8; Q13174; Q6IA12; Q7L4Y1; Q9BW96; Q9H6V6
Background:
Protein VAC14 homolog, also known as Tax1-binding protein 2, is a pivotal scaffold protein within the PI(3,5)P2 regulatory complex. It orchestrates the synthesis and turnover of phosphatidylinositol 3,5-bisphosphate, crucial for maintaining cellular phosphatidylinositol levels. Its unique pentameric structure facilitates the assembly of the complex, coordinating kinase and phosphatase activities essential for endosome carrier vesicle biogenesis.
Therapeutic significance:
The association of Protein VAC14 homolog with Striatonigral degeneration, childhood-onset, underscores its therapeutic potential. Understanding the role of Protein VAC14 homolog could open doors to potential therapeutic strategies for this devastating neurological disorder.