Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
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 is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9UBT6
UPID:
POLK_HUMAN
Alternative names:
DINB protein
Alternative UPACC:
Q9UBT6; B2RBD2; Q5Q9G5; Q5Q9G6; Q5Q9G7; Q5Q9G8; Q86VJ8; Q8IZY0; Q8IZY1; Q8NB30; Q96L01; Q96Q86; Q96Q87; Q9UHC5
Background:
DNA polymerase kappa, also known as DINB protein, plays a crucial role in DNA repair, specifically in translesion synthesis. This process is vital when high-fidelity DNA polymerases stall due to DNA damage. DNA polymerase kappa is adept at inserting the correct base during DNA synthesis, although it may lead to base transitions, transversions, and frameshifts due to its lack of 3'-5' proofreading exonuclease activity.
Therapeutic significance:
Understanding the role of DNA polymerase kappa could open doors to potential therapeutic strategies. Its unique ability to bypass DNA lesions makes it a target of interest in developing treatments for conditions arising from DNA repair defects.