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.
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.
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 top-notch dedicated system is used to design specialised 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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9H773
UPID:
DCTP1_HUMAN
Alternative names:
Deoxycytidine-triphosphatase 1; RS21C6; XTP3-transactivated gene A protein
Alternative UPACC:
Q9H773
Background:
dCTP pyrophosphatase 1, also known as Deoxycytidine-triphosphatase 1, plays a crucial role in nucleotide metabolism by hydrolyzing deoxynucleoside triphosphates (dNTPs) to their monophosphates. It exhibits a strong preference for dCTP and its analogs, including 5-iodo-dCTP and 5-methyl-dCTP, showcasing higher efficiency towards these substrates. This specificity suggests a protective mechanism against the incorporation of genotoxic nucleotide analogs into DNA or RNA.
Therapeutic significance:
Understanding the role of dCTP pyrophosphatase 1 could open doors to potential therapeutic strategies. Its ability to prevent the incorporation of harmful nucleotide analogs into genetic material positions it as a key player in safeguarding genome integrity.