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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner 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.
Our high-tech, dedicated method is applied to construct targeted 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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9BUD6
UPID:
SPON2_HUMAN
Alternative names:
Differentially expressed in cancerous and non-cancerous lung cells 1; Mindin
Alternative UPACC:
Q9BUD6; D3DVN9; Q4W5N4; Q9ULW1
Background:
Spondin-2, also known as Mindin and differentially expressed in cancerous and non-cancerous lung cells 1, is a pivotal cell adhesion protein. It plays a crucial role in promoting adhesion and outgrowth of hippocampal embryonic neurons. Beyond its structural functions, Spondin-2 directly binds to bacteria and their components, acting as an opsonin for macrophage phagocytosis of bacteria. This positions it as an essential molecule in initiating the innate immune response and as a unique pattern-recognition molecule in the extracellular matrix for microbial pathogens.
Therapeutic significance:
Understanding the role of Spondin-2 could open doors to potential therapeutic strategies.