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.
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.
Our high-tech, dedicated method is applied to construct targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.
Key features that set our library apart include:
partner
Reaxense
upacc
Q8N4S9
UPID:
MALD2_HUMAN
Alternative names:
Tricellulin
Alternative UPACC:
Q8N4S9; A1BQX0; A1BQX1; A8KA97; Q96NM9
Background:
MARVEL domain-containing protein 2, also known as Tricellulin, is pivotal in the formation of tricellular tight junctions and epithelial barriers. It plays a crucial role in maintaining the integrity of the inner ear's organ of Corti, essential for normal hearing and hair cell survival.
Therapeutic significance:
Tricellulin's dysfunction is linked to Deafness, autosomal recessive, 49, a condition stemming from gene variants affecting its expression. This connection underscores the protein's potential as a target for therapeutic interventions aimed at restoring hearing.