Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q04743
UPID:
EMX2_HUMAN
Alternative names:
Empty spiracles homolog 2; Empty spiracles-like protein 2
Alternative UPACC:
Q04743; G3V305; Q96NN8; Q9BQF4
Background:
Homeobox protein EMX2, also known as Empty spiracles homolog 2, plays a pivotal role in brain development. It functions alongside EMX2 to delineate the boundary between the roof and archipallium, influencing cell fate decisions in the central nervous system.
Therapeutic significance:
Linked to Schizencephaly, a rare congenital disorder, EMX2's involvement suggests potential therapeutic avenues. Understanding its role could unveil novel strategies for treating or managing this and possibly other neurodevelopmental conditions.