Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q86TW2
UPID:
ADCK1_HUMAN
Alternative names:
-
Alternative UPACC:
Q86TW2; B3KUD5; Q6PD65; Q9UIE6
Background:
AarF domain-containing protein kinase 1 plays a pivotal role in maintaining mitochondrial cristae formation and function. It operates through YME1L1 in a kinase-independent manner, regulating essential mitochondrial structural proteins OPA1 and IMMT. The precise enzymatic activity of this protein remains to be elucidated, including its potential kinase activity and substrate specificity.
Therapeutic significance:
Understanding the role of AarF domain-containing protein kinase 1 could open doors to potential therapeutic strategies.