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.
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.
We employ our advanced, specialised process to create 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
P06746
UPID:
DPOLB_HUMAN
Alternative names:
5'-deoxyribose-phosphate lyase; AP lyase
Alternative UPACC:
P06746; B2RC78; Q3KP48; Q6FI34
Background:
DNA polymerase beta, also known as 5'-deoxyribose-phosphate lyase and AP lyase, plays a pivotal role in the base-excision repair pathway. This enzyme is crucial for repairing damaged DNA by removing 5'-deoxyribose-phosphate from preincised apurinic/apyrimidic sites and filling the resulting single-nucleotide gaps. Unlike other DNA polymerases, it operates in a stepwise distributive manner, showcasing its unique 'gap-filling' DNA synthesis capability. Additionally, it possesses AP lyase activity, enabling it to cleave sugar-phosphate bonds adjacent to intact AP sites.
Therapeutic significance:
Understanding the role of DNA polymerase beta could open doors to potential therapeutic strategies.