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.
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.
We use our state-of-the-art dedicated workflow for designing focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.
Several key aspects differentiate our library:
partner
Reaxense
upacc
O60938
UPID:
KERA_HUMAN
Alternative names:
Keratan sulfate proteoglycan keratocan
Alternative UPACC:
O60938
Background:
Keratocan, also known as keratan sulfate proteoglycan keratocan, plays a pivotal role in corneal transparency and stromal matrix structure. Its presence is crucial for maintaining the clarity and proper function of the cornea, implicating its significance in ocular health.
Therapeutic significance:
Keratocan's dysfunction is linked to Cornea plana 2, an autosomal recessive disorder characterized by flattened corneal curvature, severe hyperopia, and other ocular anomalies. Understanding the role of Keratocan could open doors to potential therapeutic strategies for this and related corneal diseases.