Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
We use our state-of-the-art dedicated workflow for designing focused 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 stands out due to several important features:
partner
Reaxense
upacc
P17612
UPID:
KAPCA_HUMAN
Alternative names:
-
Alternative UPACC:
P17612; Q32P54; Q9H2Y0; Q9NRB4; Q9NRH9
Background:
The cAMP-dependent protein kinase catalytic subunit alpha (P17612) plays a pivotal role in cellular processes by phosphorylating a wide array of substrates in both the cytoplasm and nucleus. This enzyme is crucial for various cellular functions, including glucose-mediated adipogenic differentiation, osteogenic differentiation inhibition, chondrogenesis, and the regulation of platelet activity. It also has a significant role in the phosphorylation of proteins involved in tight junctions and the Hedgehog signaling pathway, impacting embryonic development and cellular proliferation.
Therapeutic significance:
The protein's involvement in Primary pigmented nodular adrenocortical disease 4 and Cardioacrofacial dysplasia 1, diseases caused by gene variants affecting this protein, highlights its potential as a target for therapeutic intervention. Understanding the role of cAMP-dependent protein kinase catalytic subunit alpha could open doors to potential therapeutic strategies for these conditions.