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.
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.
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 employ our advanced, specialised process to create 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 is unique due to several crucial aspects:
partner
Reaxense
upacc
P51817
UPID:
PRKX_HUMAN
Alternative names:
Protein kinase PKX1
Alternative UPACC:
P51817
Background:
The cAMP-dependent protein kinase catalytic subunit PRKX, also known as Protein kinase PKX1, plays a pivotal role in cellular processes. It is a serine/threonine protein kinase that mediates cAMP signaling, crucial for cellular differentiation, epithelial morphogenesis, myeloid cell differentiation, nephrogenesis, and angiogenesis. It achieves its effects through phosphorylation of targets like CREB, SMAD6, and PKD1.
Therapeutic significance:
Understanding the role of cAMP-dependent protein kinase catalytic subunit PRKX could open doors to potential therapeutic strategies. Its involvement in key cellular processes suggests its potential as a target in treating diseases related to cellular differentiation and growth.