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.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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 utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P13051
UPID:
UNG_HUMAN
Alternative names:
-
Alternative UPACC:
P13051; A8K5M6; B2R8Y1; O00637; O00719; Q93028
Background:
Uracil-DNA glycosylase plays a critical role in DNA repair by excising uracil residues, which can arise from misincorporation or deamination of cytosine. This enzyme ensures genomic integrity and proper cell function.
Therapeutic significance:
Its association with Immunodeficiency with hyper-IgM 5, a condition marked by susceptibility to bacterial infections, highlights its potential as a target for therapeutic intervention. Understanding the role of Uracil-DNA glycosylase could open doors to potential therapeutic strategies.