Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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.
We use our state-of-the-art dedicated workflow for designing focused 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
P32321
UPID:
DCTD_HUMAN
Alternative names:
dCMP deaminase
Alternative UPACC:
P32321; B2R836; D3DP49; D3DP50; Q5M7Z8; Q9BVD8
Background:
Deoxycytidylate deaminase, also known as dCMP deaminase, plays a crucial role in DNA synthesis and repair by supplying the nucleotide substrate for thymidylate synthetase. This enzyme is pivotal in the conversion process that ensures the proper functioning of cellular replication mechanisms.
Therapeutic significance:
Understanding the role of Deoxycytidylate deaminase could open doors to potential therapeutic strategies. Its critical function in DNA synthesis positions it as a key target for developing novel treatments aimed at diseases related to DNA damage and repair mechanisms.