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.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P55087
UPID:
AQP4_HUMAN
Alternative names:
Mercurial-insensitive water channel; WCH4
Alternative UPACC:
P55087; P78564
Background:
Aquaporin-4, also known as Mercurial-insensitive water channel and WCH4, is pivotal in maintaining brain water homeostasis and glymphatic solute transport. It facilitates water exchange across the blood-brain barrier and supports cerebrospinal fluid dynamics, crucial for solute clearance from brain interstitial fluid, including beta-amyloid peptides. Additionally, it plays a role in urinary water regulation.
Therapeutic significance:
Understanding the role of Aquaporin-4 could open doors to potential therapeutic strategies. Its involvement in brain water homeostasis and solute clearance mechanisms positions it as a key target in addressing neurological conditions and enhancing cognitive health.