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.
The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q96HP0
UPID:
DOCK6_HUMAN
Alternative names:
-
Alternative UPACC:
Q96HP0; A6H8X5; Q7Z7P4; Q9P2F2
Background:
Dedicator of cytokinesis protein 6 plays a pivotal role in cellular processes by acting as a guanine nucleotide exchange factor for CDC42 and RAC1 small GTPases. Its activation of these GTPases is crucial for neurite outgrowth, indicating its significant role in neural development.
Therapeutic significance:
Given its involvement in Adams-Oliver syndrome 2, a condition marked by congenital skin absence and limb defects, understanding the role of Dedicator of cytokinesis protein 6 could open doors to potential therapeutic strategies.