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 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 includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
O75914
UPID:
PAK3_HUMAN
Alternative names:
Beta-PAK; Oligophrenin-3; p21-activated kinase 3
Alternative UPACC:
O75914; A8K389; B1GX77; B1GX78; B1GX79; Q5JWX1; Q5JWX2; Q7Z2D6; Q7Z2E4; Q7Z3Z8; Q8WWK5; Q8WX23; Q9P0J8
Background:
Serine/threonine-protein kinase PAK 3, also known as Beta-PAK, Oligophrenin-3, and p21-activated kinase 3, is a pivotal enzyme in various signaling pathways, including cytoskeleton regulation, cell migration, and cell cycle control. It functions as an effector of CDC42 and RAC1 GTPases, influencing dendrite spine morphogenesis, synapse formation, and plasticity. Its kinase activity is essential for phosphorylating MAPK4 and MAPK6, activating MAPKAPK5, and modulating calcium sensitivity through TNNI3 phosphorylation.
Therapeutic significance:
PAK 3's involvement in Intellectual developmental disorder, X-linked 30, underscores its potential as a therapeutic target. Understanding the role of Serine/threonine-protein kinase PAK 3 could open doors to potential therapeutic strategies.