Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
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
P26998
UPID:
CRBB3_HUMAN
Alternative names:
Beta-B3 crystallin
Alternative UPACC:
P26998; Q3B7S9; Q3T1B7; Q6ISK6; Q92965; Q9UH09
Background:
Beta-crystallin B3, also known as Beta-B3 crystallin, is a pivotal structural component of the vertebrate eye lens. Its primary function is to maintain lens transparency and refractive properties, essential for clear vision. The protein is characterized by its ability to form aggregates, contributing to the lens's unique optical characteristics.
Therapeutic significance:
Cataract 22, multiple types, a condition marked by the opacification of the lens, is directly linked to variants affecting the Beta-crystallin B3 gene. Understanding the role of Beta-crystallin B3 could open doors to potential therapeutic strategies, offering hope for individuals suffering from this visually impairing disease.