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.
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 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
A3KMH1
UPID:
VWA8_HUMAN
Alternative names:
PEX7-binding protein 2
Alternative UPACC:
A3KMH1; O60310; Q5JTP6; Q5VW08; Q7Z6I9; Q86YC9; Q8N3E4
Background:
The von Willebrand factor A domain-containing protein 8, also known as PEX7-binding protein 2, is recognized for its ATPase activity in vitro. This protein plays a pivotal role in cellular processes, facilitated by its enzymatic function.
Therapeutic significance:
Understanding the role of von Willebrand factor A domain-containing protein 8 could open doors to potential therapeutic strategies. Its enzymatic activity suggests a fundamental role in cellular mechanisms, which, when deciphered, could lead to novel treatments.