Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 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 is unique due to several crucial aspects:
partner
Reaxense
upacc
O14727
UPID:
APAF_HUMAN
Alternative names:
-
Alternative UPACC:
O14727; B2RMX8; O43297; Q7Z438; Q9BXZ6; Q9UBZ5; Q9UGN8; Q9UGN9; Q9UGP0; Q9UJ58; Q9UJ59; Q9UJ60; Q9UJ61; Q9UJ62; Q9UJ63; Q9UJ64; Q9UJ65; Q9UJ66; Q9UJ67; Q9UNC9
Background:
Apoptotic protease-activating factor 1 (Apaf-1) plays a pivotal role in apoptosis, mediating the activation of caspase-3 through the cytochrome c-dependent autocatalytic activation of pro-caspase-9. This process, essential for programmed cell death, requires ATP and involves oligomeric Apaf-1. Isoform 6 of Apaf-1, however, is noted for its reduced efficacy in inducing apoptosis.
Therapeutic significance:
Understanding the role of Apoptotic protease-activating factor 1 could open doors to potential therapeutic strategies. Its central role in apoptosis highlights its potential as a target for developing treatments that could manipulate programmed cell death, a process crucial in various diseases.