Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 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.
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.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q13153
UPID:
PAK1_HUMAN
Alternative names:
Alpha-PAK; p21-activated kinase 1; p65-PAK
Alternative UPACC:
Q13153; O75561; Q13567; Q32M53; Q32M54; Q86W79
Background:
Serine/threonine-protein kinase PAK 1, known as Alpha-PAK, p21-activated kinase 1, or p65-PAK, plays a pivotal role in cell signaling pathways. It influences cytoskeleton dynamics, cell adhesion, migration, proliferation, apoptosis, and vesicle-mediated transport. PAK1's activation is linked to CDC42 and RAC1, connecting GTPases to the JNK MAP kinase pathway and influencing actin cytoskeleton reorganization.
Therapeutic significance:
PAK1's involvement in Intellectual developmental disorder with macrocephaly, seizures, and speech delay highlights its potential as a therapeutic target. Understanding PAK1's role could open doors to novel strategies for treating neurodevelopmental disorders.