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 pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Several key aspects differentiate our library:
partner
Reaxense
upacc
P00374
UPID:
DYR_HUMAN
Alternative names:
-
Alternative UPACC:
P00374; B4DDD2; Q14130; Q6IRW8
Background:
Dihydrofolate reductase plays a pivotal role in folate metabolism, essential for DNA synthesis and repair. It catalyzes the reduction of dihydrofolate to tetrahydrofolate, aiding in the synthesis of purines, thymidylate, and amino acids.
Therapeutic significance:
Megaloblastic anemia due to dihydrofolate reductase deficiency showcases the critical role of this enzyme in human health. Targeting dihydrofolate reductase offers a pathway to address severe metabolic disorders, highlighting its potential in therapeutic interventions.