Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.
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.
We use our state-of-the-art dedicated workflow for designing focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.
Key features that set our library apart include:
partner
Reaxense
upacc
Q9Y6H8
UPID:
CXA3_HUMAN
Alternative names:
Connexin-46
Alternative UPACC:
Q9Y6H8; Q0VAB7; Q9H537
Background:
Gap junction alpha-3 protein, also known as Connexin-46, plays a pivotal role in the structure and function of lens fiber 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 protein's mutation has been linked to Cataract 14, multiple types, a condition characterized by lens opacification leading to visual impairment or blindness. Understanding the role of Gap junction alpha-3 protein could open doors to potential therapeutic strategies for cataract treatment.