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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
P30085
UPID:
KCY_HUMAN
Alternative names:
Deoxycytidylate kinase; Nucleoside-diphosphate kinase; Uridine monophosphate/cytidine monophosphate kinase
Alternative UPACC:
P30085; B2R6S5; B4DPU7; E9PGI8; Q53GB7; Q5SVZ0; Q96C07; Q9UBQ8; Q9UIA2
Background:
UMP-CMP kinase, also known as Deoxycytidylate kinase, Nucleoside-diphosphate kinase, and Uridine monophosphate/cytidine monophosphate kinase, is pivotal in de novo pyrimidine nucleotide biosynthesis. It catalyzes the phosphorylation of pyrimidine nucleoside monophosphates using ATP, with a preference for UMP and CMP. This enzyme also exhibits broad nucleoside diphosphate kinase activity, underscoring its versatile role in cellular metabolism.
Therapeutic significance:
Understanding the role of UMP-CMP kinase could open doors to potential therapeutic strategies. Its critical function in nucleotide biosynthesis positions it as a key target for interventions in metabolic disorders and diseases where nucleotide balance is disrupted.