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 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.
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
Q96K58
UPID:
ZN668_HUMAN
Alternative names:
-
Alternative UPACC:
Q96K58; C9JHH8; F5H7E7; Q59EV1; Q8N669; Q9H8L4
Background:
Zinc finger protein 668 plays a crucial role in transcriptional regulation and DNA repair, essential for maintaining genomic stability. Its unique structure facilitates specific interactions with DNA, influencing gene expression patterns critical for cell function.
Therapeutic significance:
Given its involvement in a neurodevelopmental disorder characterized by severe developmental delay, brain malformation, and distinct facial dysmorphism, targeting Zinc finger protein 668 offers a promising avenue for therapeutic intervention. Understanding its role could open doors to potential therapeutic strategies.