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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
O14896
UPID:
IRF6_HUMAN
Alternative names:
-
Alternative UPACC:
O14896; B4DLE2; D3DT90; F5GWX8; G0ZTL0
Background:
Interferon regulatory factor 6 plays a pivotal role in epidermal development and mammary epithelial cell proliferation. It acts as a probable DNA-binding transcriptional activator, crucial for the keratinocyte proliferation-differentiation switch, ensuring proper skin formation.
Therapeutic significance:
Linked to Van der Woude syndrome 1, Popliteal pterygium syndrome, and Non-syndromic orofacial cleft 6, Interferon regulatory factor 6's understanding could pave the way for innovative treatments for these developmental disorders.