AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for UMP-CMP kinase 2, mitochondrial

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

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.

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.

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.

Our top-notch dedicated system is used to design specialised libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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

Q5EBM0

UPID:

CMPK2_HUMAN

Alternative names:

Nucleoside-diphosphate kinase

Alternative UPACC:

Q5EBM0; A2RUB0; A5D8T2; B7ZM18; Q6ZRU2; Q96AL8

Background:

UMP-CMP kinase 2, mitochondrial, also known as Nucleoside-diphosphate kinase, plays a pivotal role in mitochondrial nucleotide monophosphate kinase activity, crucial for salvage dNTP synthesis. It mediates immunomodulatory and antiviral activities through both IFN-dependent and IFN-independent pathways, showcasing its ability to restrict the replication of various viruses, including flaviviruses and coronaviruses. This protein's unique function extends to suppressing viral RNA-dependent RNA polymerase activities in collaboration with viperin/RSAD2 and ddhCTP, and controlling mitochondrial DNA synthesis by supplying necessary deoxyribonucleotides.

Therapeutic significance:

Understanding the role of UMP-CMP kinase 2, mitochondrial could open doors to potential therapeutic strategies, especially in the realm of antiviral research. Its involvement in restricting virus replication and controlling mitochondrial DNA synthesis presents a promising avenue for developing novel treatments against flaviviruses and coronaviruses.

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