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 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 for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q6PJG6
UPID:
BRAT1_HUMAN
Alternative names:
BRCA1-associated protein required for ATM activation protein 1
Alternative UPACC:
Q6PJG6; A4D200; C9JY24; Q8IW85; Q8IZ43; Q8WVR8; Q96IV9; Q9H7J8; Q9UFA3
Background:
BRCA1-associated ATM activator 1, alternatively known as BRCA1-associated protein required for ATM activation protein 1, plays a pivotal role in the DNA damage response. It activates key kinases such as ATM, SMC1A, and PRKDC following ionizing radiation stress, modulating their phosphorylation status. Additionally, it is essential for mitochondrial function, cell proliferation, protein stability of MTOR and related proteins, and cell cycle progression influenced by growth factors.
Therapeutic significance:
BRCA1-associated ATM activator 1 is linked to severe diseases, including Rigidity and multifocal seizure syndrome, lethal neonatal, and Neurodevelopmental disorder with cerebellar atrophy, with or without seizures. Understanding its role could lead to groundbreaking therapeutic strategies for these debilitating conditions.