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.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9UEE5
UPID:
ST17A_HUMAN
Alternative names:
DAP kinase-related apoptosis-inducing protein kinase 1
Alternative UPACC:
Q9UEE5; A4D1V6; Q8IVC8
Background:
Serine/threonine-protein kinase 17A, also known as DAP kinase-related apoptosis-inducing protein kinase 1, plays a pivotal role in cellular processes. It acts as a positive regulator of apoptosis and regulates cellular reactive oxygen species, highlighting its critical function in maintaining cellular homeostasis and response to stress.
Therapeutic significance:
Understanding the role of Serine/threonine-protein kinase 17A could open doors to potential therapeutic strategies. Its involvement in apoptosis and reactive oxygen species regulation presents it as a key target for drug discovery efforts aimed at diseases where these processes are dysregulated.