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.
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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
We utilise our cutting-edge, exclusive workflow to develop 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 is unique due to several crucial 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.