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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q9H2P0
UPID:
ADNP_HUMAN
Alternative names:
Activity-dependent neuroprotective protein
Alternative UPACC:
Q9H2P0; E1P5Y2; O94881; Q5BKU2; Q9UG34
Background:
The Activity-dependent neuroprotector homeobox protein, with alternative names such as Activity-dependent neuroprotective protein, plays a crucial role in transcriptional regulation and neuroprotection. It enhances WNT-beta-catenin signaling, crucial for neural induction and differentiation, and may contribute to erythroid differentiation.
Therapeutic significance:
Linked to Helsmoortel-van der Aa syndrome, characterized by intellectual disability and autism spectrum disorder, this protein's understanding could pave the way for innovative treatments targeting neurodevelopmental disorders.