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.
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.
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
Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P11172
UPID:
UMPS_HUMAN
Alternative names:
-
Alternative UPACC:
P11172; B5LY68; B5LY72; O00758; O00759; O00760; Q16862; Q9H3Q2; Q9UG49
Background:
Uridine 5'-monophosphate synthase plays a pivotal role in the de novo synthesis of pyrimidine nucleotides, catalyzing the conversion of orotate to orotidine-5'-monophosphate and its subsequent decarboxylation to uridine monophosphate. This bifunctional enzyme's activity is crucial for the production of pyrimidine nucleotides, essential components of RNA and DNA.
Therapeutic significance:
Orotic aciduria 1, a metabolic disorder resulting from mutations affecting this enzyme, underscores its clinical importance. Characterized by megaloblastic anemia, orotic acid crystalluria, and potential intellectual disability, the disease highlights the enzyme's therapeutic potential. Targeting its function could lead to innovative treatments for this disorder and related pyrimidine metabolism abnormalities.