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.
Our top-notch dedicated system is used to design specialised 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
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.