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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
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.
We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q13569
UPID:
TDG_HUMAN
Alternative names:
Thymine-DNA glycosylase
Alternative UPACC:
Q13569; Q8IUZ6; Q8IZM3
Background:
G/T mismatch-specific thymine DNA glycosylase, also known as Thymine-DNA glycosylase, plays a pivotal role in DNA repair mechanisms. It specifically recognizes and binds 5-formylcytosine and 5-carboxylcytosine, facilitating their removal through base-excision repair to maintain DNA integrity. Its unique ability to correct G/T mispairs underscores its importance in preserving genomic stability.
Therapeutic significance:
Understanding the role of G/T mismatch-specific thymine DNA glycosylase could open doors to potential therapeutic strategies. Its involvement in DNA repair and demethylation processes makes it a promising target for developing treatments aimed at enhancing DNA repair mechanisms in various diseases.