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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed 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.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
Q12882
UPID:
DPYD_HUMAN
Alternative names:
Dihydrothymine dehydrogenase; Dihydrouracil dehydrogenase
Alternative UPACC:
Q12882; A2RRQ2; A2RRQ3; A8K5A2; A8MWG9; B1AN21; E9PFN1; Q16694; Q16761; Q32NB0; Q96HL6; Q96TH1
Background:
Dihydropyrimidine dehydrogenase [NADP(+)], also known as Dihydrothymine dehydrogenase or Dihydrouracil dehydrogenase, plays a crucial role in pyrimidine base degradation. It catalyzes the reduction of uracil and thymine, pivotal in nucleic acid metabolism.
Therapeutic significance:
This enzyme's dysfunction is linked to Dihydropyrimidine dehydrogenase deficiency, a metabolic disorder with symptoms ranging from none to severe, including adverse reactions to 5-fluorouracil, a chemotherapeutic drug. Understanding its role could lead to improved treatment strategies for affected patients.