Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.
We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9NWT6
UPID:
HIF1N_HUMAN
Alternative names:
Factor inhibiting HIF-1; Hypoxia-inducible factor asparagine hydroxylase
Alternative UPACC:
Q9NWT6; D3DR69; Q5W147; Q969Q7; Q9NPV5
Background:
The Hypoxia-inducible factor 1-alpha inhibitor, also known as Factor inhibiting HIF-1 and Hypoxia-inducible factor asparagine hydroxylase, plays a pivotal role in oxygen sensing. It hydroxylates HIF-1 alpha, preventing its interaction with transcriptional coactivators under normoxic conditions. This protein is crucial in transcriptional repression, interacting with HIF1A, VHL, and histone deacetylases. It targets specific Asn residues within ankyrin repeat domains of several proteins, influencing NOTCH1 activity and promoting vascular differentiation.
Therapeutic significance:
Understanding the role of Hypoxia-inducible factor 1-alpha inhibitor could open doors to potential therapeutic strategies.