Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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.
Our high-tech, dedicated method is applied to construct targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Our library is unique due to several crucial 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.