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 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 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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q9H6U6
UPID:
BCAS3_HUMAN
Alternative names:
Breast carcinoma-amplified sequence 3; GAOB1
Alternative UPACC:
Q9H6U6; Q17RM0; Q6KF21; Q8IXI6; Q8NDR8; Q8TDL9; Q8TDM1; Q8WY55; Q9BVF0; Q9H957; Q9H9Y9; Q9NXP4
Background:
BCAS3, also known as Breast carcinoma-amplified sequence 3 or GAOB1, is a microtubule-associated cell migration factor. It plays a pivotal role in angiogenesis, cell polarity, and endothelial cell migration through the activation of CDC42 and reorganization of the actin cytoskeleton. BCAS3 also functions as a transcriptional coactivator of estrogen receptor-responsive genes and is involved in autophagic activity regulation.
Therapeutic significance:
The association of BCAS3 with Hengel-Maroofian-Schols syndrome, a disorder marked by developmental delays and neurological issues, underscores its clinical importance. Understanding the role of BCAS3 could open doors to potential therapeutic strategies for treating this syndrome and possibly other related conditions.