Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We use our state-of-the-art dedicated workflow for designing focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P48165
UPID:
CXA8_HUMAN
Alternative names:
Connexin-50; Lens fiber protein MP70
Alternative UPACC:
P48165; A7L5M5; Q5VVN9; Q9NP25
Background:
Gap junction alpha-8 protein, also known as Connexin-50 and Lens fiber protein MP70, plays a crucial role in the structural integrity of eye lens gap junctions. These junctions are essential for cell communication, allowing small molecules and ions to diffuse between cells, thereby maintaining lens transparency and eye health.
Therapeutic significance:
The association of Gap junction alpha-8 protein with Cataract 1, multiple types, underscores its therapeutic significance. Understanding the role of Gap junction alpha-8 protein could open doors to potential therapeutic strategies for cataract, a leading cause of visual impairment and blindness.