Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q2MKA7
UPID:
RSPO1_HUMAN
Alternative names:
Roof plate-specific spondin-1
Alternative UPACC:
Q2MKA7; A2A420; Q0H8S6; Q14C72; Q5T0F2; Q8N7L5
Background:
R-spondin-1, also known as Roof plate-specific spondin-1, is a pivotal activator of the canonical Wnt signaling pathway. It functions by serving as a ligand for LGR4-6 receptors, facilitating the association with phosphorylated LRP6 and frizzled receptors activated by Wnt, thereby enhancing gene expression. Additionally, it plays a crucial role in ovary determination and regulates both canonical and non-canonical Wnt signaling pathways.
Therapeutic significance:
R-spondin-1's involvement in Keratoderma, palmoplantar, with squamous cell carcinoma of skin and sex reversal, underscores its potential as a target for therapeutic intervention. Understanding the role of R-spondin-1 could open doors to potential therapeutic strategies.