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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We employ our advanced, specialised process to create targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.
Key features that set our library apart include:
partner
Reaxense
upacc
Q8NF50
UPID:
DOCK8_HUMAN
Alternative names:
-
Alternative UPACC:
Q8NF50; A2A350; A2BDF2; A4FU78; B7ZLP0; E9PH09; Q3MV16; Q5JPJ1; Q8TEP1; Q8WUY2; Q9BYJ5; Q9H1Q2; Q9H1Q3; Q9H308; Q9H7P2
Background:
Dedicator of cytokinesis protein 8 (DOCK8) acts as a guanine nucleotide exchange factor, specifically activating CDC42 to facilitate immune response and cell migration. It plays a pivotal role in dendritic and T-cell migration, and NK cell cytotoxicity, by regulating cell polarity and microtubule organization.
Therapeutic significance:
DOCK8 is linked to Hyper-IgE recurrent infection syndrome 2 and Intellectual developmental disorder, highlighting its critical role in immunodeficiency and cognitive function. Understanding DOCK8's mechanisms offers a pathway to novel treatments for these conditions.