Focused On-demand Library for UMP-CMP kinase

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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.

Our library stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

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.