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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9NQU5
UPID:
PAK6_HUMAN
Alternative names:
PAK-5; p21-activated kinase 6
Alternative UPACC:
Q9NQU5; A8K2G2; B3KYB0; G5E9R2
Background:
Serine/threonine-protein kinase PAK 6, known alternatively as PAK-5, plays a pivotal role in gene transcription regulation. Its kinase activity, modulated by AR or MAP2K6/MAPKK6, targets the DNA-binding domain of androgen receptor/AR to inhibit AR-mediated transcription. Additionally, it suppresses ESR1-mediated transcription and may influence cytoskeleton regulation through interaction with IQGAP1. PAK 6 also contributes to cellular apoptosis prevention by phosphorylating BAD.
Therapeutic significance:
Understanding the role of Serine/threonine-protein kinase PAK 6 could open doors to potential therapeutic strategies.