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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.
The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
We use our state-of-the-art dedicated workflow for designing focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9UHC6
UPID:
CNTP2_HUMAN
Alternative names:
Cell recognition molecule Caspr2
Alternative UPACC:
Q9UHC6; D3DWG2; Q14DG2; Q52LV1; Q5H9Q7; Q9UQ12
Background:
Contactin-associated protein-like 2 (Caspr2) is pivotal in the formation of gap junctions and the organization of myelinated axons. It delineates the juxtaparanodal region crucial for nerve impulse conduction in nerve fibers, working alongside CNTNAP1.
Therapeutic significance:
Caspr2's involvement in Autism 15 and Pitt-Hopkins-like syndrome 1, through gene variants, underscores its potential in therapeutic strategies targeting these neurological disorders.