Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
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.
We use our state-of-the-art dedicated workflow for designing focused 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 is unique due to several crucial aspects:
partner
Reaxense
upacc
P22102
UPID:
PUR2_HUMAN
Alternative names:
-
Alternative UPACC:
P22102; A8K945; A8KA32; D3DSF3; D3DSF4; O14659; Q52M77
Background:
The Trifunctional purine biosynthetic protein adenosine-3 plays a pivotal role in the 'de novo' inosine monophosphate biosynthetic pathway. This enzyme catalyzes three distinct reactions, showcasing its versatility and essential function in purine metabolism.
Therapeutic significance:
Understanding the role of Trifunctional purine biosynthetic protein adenosine-3 could open doors to potential therapeutic strategies. Its critical function in purine synthesis highlights its potential as a target for drug discovery, aiming to modulate purine levels in various diseases.