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.
We utilise our cutting-edge, exclusive workflow to develop focused 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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9ULZ3
UPID:
ASC_HUMAN
Alternative names:
Caspase recruitment domain-containing protein 5; PYD and CARD domain-containing protein; Target of methylation-induced silencing 1
Alternative UPACC:
Q9ULZ3; Q96D12; Q9BSZ5; Q9HBD0; Q9NXJ8
Background:
The Apoptosis-associated speck-like protein containing a CARD, known by its alternative names such as Caspase recruitment domain-containing protein 5 and Target of methylation-induced silencing 1, plays a pivotal role in apoptosis and inflammation. It mediates caspase-dependent apoptosis, influences mitochondrial apoptotic pathways, and acts as an adapter in inflammasome assembly, leading to pro-inflammatory cytokine secretion and macrophage pyroptosis. Its involvement extends to innate and adaptive immunity, influencing dendritic cell maturation and T-cell immunity.
Therapeutic significance:
Understanding the role of Apoptosis-associated speck-like protein containing a CARD could open doors to potential therapeutic strategies, particularly in diseases where apoptosis and inflammation are key factors.