Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 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 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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P53672
UPID:
CRBA2_HUMAN
Alternative names:
Beta-A2 crystallin
Alternative UPACC:
P53672; Q4ZFX0; Q9Y562
Background:
Beta-crystallin A2, also known as Beta-A2 crystallin, plays a pivotal role in the vertebrate eye lens, serving as a dominant structural component. This protein's unique structure and function are crucial for maintaining lens transparency and refractive properties, essential for clear vision.
Therapeutic significance:
Cataract 42, a condition characterized by lens opacification leading to visual impairment or blindness, is directly linked to variants affecting the Beta-crystallin A2 gene. Understanding the role of Beta-crystallin A2 could open doors to potential therapeutic strategies for this and related ocular diseases.