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.
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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
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 stands out due to several important features:
partner
Reaxense
upacc
Q96S42
UPID:
NODAL_HUMAN
Alternative names:
-
Alternative UPACC:
Q96S42; Q2M3A5; Q8N4V3
Background:
The Nodal homolog protein plays a pivotal role in mesoderm formation and axial patterning during embryonic development. Its function is crucial for the correct positioning and development of various organs and structures within the embryo, guiding the establishment of left-right asymmetry.
Therapeutic significance:
Given its essential role in embryonic development, mutations in the Nodal homolog protein are linked to Heterotaxy, visceral, 5, autosomal, a disorder characterized by abnormal organ placement and congenital heart defects. Understanding the role of Nodal homolog could open doors to potential therapeutic strategies for managing and treating congenital defects associated with this protein.