Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
We use our state-of-the-art dedicated workflow for designing focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast 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.