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.
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.
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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9UKL4
UPID:
CXD2_HUMAN
Alternative names:
Connexin-36; Gap junction alpha-9 protein
Alternative UPACC:
Q9UKL4; Q2M241; Q9P2R0
Background:
Gap junction delta-2 protein, also known as Connexin-36 and Gap junction alpha-9 protein, plays a crucial role in cell communication. It forms connexons, allowing the diffusion of low molecular weight materials between cells, facilitating vital physiological processes.
Therapeutic significance:
Understanding the role of Gap junction delta-2 protein could open doors to potential therapeutic strategies. Its fundamental role in intercellular communication positions it as a key target for research in cellular dysfunction and diseases.