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:
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.