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 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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our high-tech, dedicated method is applied to construct targeted 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
P05813
UPID:
CRBA1_HUMAN
Alternative names:
-
Alternative UPACC:
P05813; Q13633; Q14CM9
Background:
Beta-crystallin A3, a dominant structural component of the vertebrate eye lens, plays a crucial role in maintaining lens transparency and refractive properties. Its precise function and interaction with other lens proteins are pivotal for understanding eye physiology.
Therapeutic significance:
Given its association with Cataract 10, multiple types, characterized by zonular cataracts with unique sutural opacities, Beta-crystallin A3's study is vital. Understanding its role could unveil new therapeutic strategies for cataract prevention and treatment, enhancing vision health.