Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 use our state-of-the-art dedicated workflow for designing focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of 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.