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 stands out due to several important features:
partner
Reaxense
upacc
Q9Y592
UPID:
CEP83_HUMAN
Alternative names:
Coiled-coil domain-containing protein 41; Renal carcinoma antigen NY-REN-58
Alternative UPACC:
Q9Y592; A4FVB1; Q08AP1
Background:
Centrosomal protein of 83 kDa, also known as Coiled-coil domain-containing protein 41 and Renal carcinoma antigen NY-REN-58, plays a crucial role in the initiation of primary cilium assembly. It is a component of the distal appendage region of the centriole, collaborating with IFT20 in trafficking ciliary membrane proteins from the Golgi complex to the cilium.
Therapeutic significance:
The protein is implicated in Nephronophthisis 18, an autosomal recessive disorder leading to end-stage renal disease in early childhood. Understanding the role of Centrosomal protein of 83 kDa could open doors to potential therapeutic strategies for this condition and possibly other ciliopathies.