Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.
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
Q9H0R4
UPID:
HDHD2_HUMAN
Alternative names:
-
Alternative UPACC:
Q9H0R4; A8K7T3; Q96NV4
Background:
Haloacid dehalogenase-like hydrolase domain-containing protein 2, identified by the accession number Q9H0R4, plays a crucial role in cellular processes through its enzymatic activities. Its structure, belonging to the haloacid dehalogenase superfamily, suggests a broad substrate specificity and a potential role in metabolic pathways.
Therapeutic significance:
Understanding the role of Haloacid dehalogenase-like hydrolase domain-containing protein 2 could open doors to potential therapeutic strategies. Its involvement in key metabolic processes makes it a target of interest for drug discovery, aiming to modulate its activity in disease contexts.