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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner 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 employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
O96013
UPID:
PAK4_HUMAN
Alternative names:
p21-activated kinase 4
Alternative UPACC:
O96013; B4DGG6; Q8N4E1; Q8NCH5; Q8NDE3; Q9BU33; Q9ULS8
Background:
Serine/threonine-protein kinase PAK 4, also known as p21-activated kinase 4, is a pivotal enzyme in cellular signaling. It orchestrates a variety of critical processes including cytoskeleton regulation, cell migration, proliferation, and survival. Activation by growth factor receptors or CDC42 and RAC1 leads to autophosphorylation, influencing several downstream targets such as SSH1, cofilin, LIMK1, ITGB5, ARHGEF2, RHOA, BAD, and RAN. This modulation affects actin filament stability, cell motility, apoptosis, and cell-cycle progression.
Therapeutic significance:
Understanding the role of Serine/threonine-protein kinase PAK 4 could open doors to potential therapeutic strategies.