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.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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 utilise our cutting-edge, exclusive workflow to develop focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Key features that set our library apart include:
partner
Reaxense
upacc
P53674
UPID:
CRBB1_HUMAN
Alternative names:
Beta-B1 crystallin
Alternative UPACC:
P53674
Background:
Beta-crystallin B1, alternatively known as Beta-B1 crystallin, plays a pivotal role in the vertebrate eye lens as a dominant structural component. Its presence is crucial for maintaining lens transparency and proper eye function.
Therapeutic significance:
The protein's mutation has been linked to Cataract 17, multiple types, highlighting its critical role in eye health. Understanding the role of Beta-crystallin B1 could open doors to potential therapeutic strategies for cataract treatment and prevention.