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.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
Our high-tech, dedicated method is applied to construct targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9Y4L1
UPID:
HYOU1_HUMAN
Alternative names:
150 kDa oxygen-regulated protein; 170 kDa glucose-regulated protein
Alternative UPACC:
Q9Y4L1; A8C1Z0; B7Z909; Q2I204; Q53H25
Background:
Hypoxia up-regulated protein 1, also known as the 150 kDa oxygen-regulated protein or 170 kDa glucose-regulated protein, plays a crucial role in cellular mechanisms activated by oxygen deprivation. It functions as a molecular chaperone, aiding in protein folding, which is vital for maintaining cellular integrity under stress conditions.
Therapeutic significance:
The protein is linked to Immunodeficiency 59 and hypoglycemia, a disorder marked by combined immunodeficiency, granulocytopenia, and recurrent infections. Understanding the role of Hypoxia up-regulated protein 1 could open doors to potential therapeutic strategies for treating this complex immunologic disorder.