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.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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 utilise our cutting-edge, exclusive workflow to develop focused 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
Q9UBB6
UPID:
NCDN_HUMAN
Alternative names:
-
Alternative UPACC:
Q9UBB6; D3DPR9; Q9UBY2; Q9Y4A6; Q9Y4D9
Background:
Neurochondrin plays a pivotal role in the nervous system, enhancing cell surface localization of GRM5/mGluR5 and positively regulating its signaling. It is essential for spatial learning, acts as a negative regulator of CaMK2 phosphorylation, and is involved in bone metabolism and neurite outgrowth.
Therapeutic significance:
Neurochondrin's mutation is linked to a neurodevelopmental disorder with infantile epileptic spasms, highlighting its critical role in brain function. Understanding Neurochondrin could lead to novel therapeutic strategies for this debilitating condition.