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 utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
Q9BQB4
UPID:
SOST_HUMAN
Alternative names:
-
Alternative UPACC:
Q9BQB4; Q495N9
Background:
Sclerostin, encoded by the gene with accession number Q9BQB4, serves as a pivotal negative regulator of bone growth. It achieves this through the inhibition of Wnt signaling, a pathway crucial for bone formation and development. This protein's role is underscored by its involvement in several bone-related diseases.
Therapeutic significance:
The association of sclerostin with diseases such as Sclerosteosis 1, Van Buchem disease, and Craniodiaphyseal dysplasia highlights its therapeutic potential. Targeting sclerostin's activity could lead to innovative treatments for these debilitating bone dysplasias, offering hope for affected individuals.